data_2mn6_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 2mn6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.119 0.485 . . . . 1.16 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.33 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.57 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.89 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.246 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.76 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.401 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.75 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.36 110.66 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.86 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.31 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.64 111.548 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.81 111.735 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.83 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.667 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.84 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.973 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.79 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.42 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 1.24 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 2.49 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.479 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 6.37 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.441 ' H ' HD13 ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.97 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 1.28 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.96 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.52 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 1.15 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.463 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.42 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.9 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.48 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.51 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.78 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.89 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 2.1 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.46 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.48 110.153 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.71 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.91 110.847 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.565 0.222 . . . . 1.22 111.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 1.08 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.84 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.19 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.92 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 1.62 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 1.01 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.54 110.438 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.83 112.743 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.46 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.78 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.973 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.85 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.82 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 1.07 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.84 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.78 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.9 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.78 111.044 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.69 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 1.29 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 2.23 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.57 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 1.18 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.91 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.41 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.88 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.41 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 1.45 110.649 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.81 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.39 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.86 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.9 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.55 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.48 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.79 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.63 109.916 -179.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.723 0.297 . . . . 1.16 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.33 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.57 110.749 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.89 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.93 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.76 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.75 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.36 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.31 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.64 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.81 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.83 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.659 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.84 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.958 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.42 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 1.24 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 2.49 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.414 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 6.37 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.97 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 1.28 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.414 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.96 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.52 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.15 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.471 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.81 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.561 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.9 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.48 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.51 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.78 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.89 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 2.1 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.46 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.48 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.71 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.91 112.063 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 111.878 0.325 . . . . 1.22 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 1.08 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.84 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.19 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.92 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 1.62 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 1.01 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.54 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' O ' ' HZ ' ' B' ' 20' ' ' PHE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.83 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.46 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.78 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.85 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.82 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 1.07 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.84 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' HG1' ' A' ' 22' ' ' THR . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65 114.057 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.525 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.78 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.9 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.78 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.69 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 1.29 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 2.23 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.57 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 1.18 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.91 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.88 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.41 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 1.45 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.81 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.39 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.86 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.9 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.55 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.48 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.79 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.63 109.537 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.057 0.456 . . . . 1.16 111.62 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.33 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.406 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.57 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.89 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.93 110.821 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.76 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.506 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.75 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.36 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.86 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.31 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.447 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.64 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.81 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.83 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.84 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.951 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.79 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.42 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 1.24 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 2.49 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 6.37 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.423 HD22 HG11 ' B' ' 16' ' ' VAL . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.97 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 1.28 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.534 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.96 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.52 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 1.15 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.405 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.81 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.529 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.42 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.9 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.48 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.51 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.78 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.89 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 2.1 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.491 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.46 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.48 110.119 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.71 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.91 112.089 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.853 0.316 . . . . 1.22 111.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.406 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 1.08 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.84 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.19 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.92 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.62 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 1.01 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.54 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.83 112.654 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.46 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.78 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.951 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.85 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.82 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 1.07 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.84 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.78 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.9 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.78 111.682 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.69 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 1.29 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 2.23 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.57 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 1.18 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.91 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.41 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.88 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.41 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 1.45 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.81 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.39 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.86 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.9 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.55 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.48 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.79 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.63 109.456 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.675 0.25 . . . . 1.16 111.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.33 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.57 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.89 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.93 111.24 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.76 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.75 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.36 110.74 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.86 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.31 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.406 HG23 HG21 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.64 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.81 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.83 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.656 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.84 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.946 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.79 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.42 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 1.24 112.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 2.49 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 22' ' ' THR . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 6.37 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.97 110.817 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 1.28 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.494 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.96 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.52 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 1.15 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.81 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.42 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.9 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.48 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.51 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.78 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.49 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.89 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 2.1 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.46 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.48 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.71 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.91 110.665 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.78 0.324 . . . . 1.22 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 1.08 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.84 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.19 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.92 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 1.62 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 1.01 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.54 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 HG23 ' B' ' 16' ' ' VAL . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.83 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.46 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.78 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.946 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.85 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.82 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 1.07 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.84 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.78 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.9 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD12 HG11 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.78 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.69 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 1.29 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 2.23 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.57 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 1.18 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.91 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.41 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.88 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.41 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 1.45 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.81 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.39 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.86 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.9 110.826 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.55 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.48 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.79 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.63 111.005 -179.5 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.783 0.325 . . . . 1.16 110.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.33 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.57 110.902 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.89 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.93 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.76 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.488 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.75 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.36 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.31 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.64 110.841 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.81 111.592 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.83 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.84 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.958 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.79 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.42 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 1.24 112.424 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 2.49 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.4 ' HD2' ' HA3' ' A' ' 26' ' ' GLY . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 6.37 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.97 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 1.28 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.476 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.96 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.52 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 1.15 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.81 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.526 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.42 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.9 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.48 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.68 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.51 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.78 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.89 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 2.1 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.46 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.48 109.662 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.71 110.216 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.91 110.692 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 1.22 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 1.08 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.84 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.19 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.552 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.92 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 1.62 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 1.01 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.54 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.83 112.154 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.46 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.78 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.85 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.82 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 1.07 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.84 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.78 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.9 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 25' ' ' LEU . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.78 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.69 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 1.29 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 2.23 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 1.18 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.91 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.749 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.41 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.88 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.41 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 1.45 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.81 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.39 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.86 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.9 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.55 109.28 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.48 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.79 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.63 110.053 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.633 0.254 . . . . 1.16 111.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.33 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.538 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.57 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.89 109.831 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 14' ' ' VAL . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.93 111.138 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.76 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.75 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.36 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 10' ' ' LEU . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.86 110.444 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.31 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.64 111.569 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.81 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.83 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.657 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.84 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.985 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.79 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.42 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 1.24 111.513 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 2.49 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.437 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 6.37 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.97 109.807 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 1.28 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.96 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.52 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 1.15 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.81 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.607 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.42 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.9 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.48 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.51 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.78 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.89 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.648 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 2.1 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.46 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.48 109.557 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.648 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.71 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.91 111.516 -179.624 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 1.22 109.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.538 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 1.08 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.84 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.19 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.92 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 1.62 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 1.01 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.54 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.83 112.353 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.46 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.78 112.653 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.985 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.85 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.82 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 1.07 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.84 111.71 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.78 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.9 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.78 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.69 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 1.29 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 2.23 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.57 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 1.18 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.91 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.41 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.88 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.41 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 1.45 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.81 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.39 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.86 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.9 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.55 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.48 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.79 110.238 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.63 110.88 -179.223 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.72 0.267 . . . . 1.16 111.72 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.33 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.534 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.57 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.89 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.93 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.76 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG2' ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.75 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.86 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.31 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.64 111.888 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.81 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.83 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.675 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.84 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.959 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.79 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.42 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 1.24 112.552 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 2.49 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.538 ' O ' HG21 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 6.37 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.97 113.063 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 1.28 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.538 HG21 ' O ' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.96 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.52 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 1.15 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.81 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.548 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.42 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.9 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.48 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.548 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.51 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.78 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.457 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.89 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 2.1 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.46 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.48 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.71 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.91 111.126 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 1.22 110.753 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.534 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 1.08 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.84 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.19 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.92 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 1.62 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 1.01 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.54 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.83 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.46 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.78 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.959 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.85 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.82 110.927 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 1.07 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.84 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.78 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.9 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.78 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.69 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 1.29 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 2.23 111.17 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.57 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 1.18 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.91 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.41 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.88 110.533 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.41 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 1.45 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.81 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.39 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.86 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.9 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.55 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.48 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.79 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.63 110.235 179.351 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.912 0.387 . . . . 1.16 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.33 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.57 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.89 109.987 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.93 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.76 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.492 ' CG2' HG22 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.75 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.36 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.86 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.31 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.404 HG11 HD22 ' B' ' 25' ' ' LEU . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.64 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.422 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.81 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.83 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.84 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.969 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.79 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.42 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 1.24 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 2.49 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.51 ' O ' HG21 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 6.37 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' B' ' 17' ' ' VAL . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.97 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 1.28 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.51 HG21 ' O ' ' B' ' 24' ' ' LYS . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.96 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.52 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 1.15 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.423 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.81 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.449 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.42 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.9 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.48 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.449 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.51 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.78 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.89 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 2.1 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.48 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.71 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.182 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.945 0.35 . . . . 1.22 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 1.08 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.84 111.537 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.19 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.92 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.62 110.454 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 1.01 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.54 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG22 ' CG2' ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.83 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.46 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.78 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.969 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.85 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.82 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 1.07 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.84 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.78 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.9 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.78 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.69 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 1.29 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 2.23 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.57 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 1.18 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.91 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.578 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.41 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.88 110.744 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.41 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 1.45 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.81 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.39 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.86 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.9 111.116 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.55 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.48 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.79 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.63 111.148 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.421 0.629 . . . . 1.16 109.704 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.33 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.57 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.549 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.89 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.93 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.451 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.76 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.451 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.75 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.36 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.86 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.31 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 13' ' ' ALA . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.64 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.81 111.42 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.83 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.616 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.84 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.947 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.79 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.42 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 1.24 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 2.49 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.429 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 6.37 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.47 HD13 ' H ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.97 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 1.28 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.445 HG23 ' C ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.96 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.52 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 1.15 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.81 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.42 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.9 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.48 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.51 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.78 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.414 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.89 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 2.1 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.46 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.48 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.71 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.91 111.555 -178.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 1.22 112.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 1.08 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.84 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.19 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.549 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.92 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.62 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 1.01 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.54 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG21 HG21 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.83 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.46 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.78 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.947 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.85 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.82 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 1.07 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.84 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.78 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.9 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' C ' HG23 ' B' ' 28' ' ' ILE . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.78 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.418 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.69 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 1.29 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 2.23 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.57 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 1.18 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.91 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.456 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.41 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.88 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.41 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 1.45 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.81 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.39 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.86 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.9 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.522 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.55 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.48 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.79 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.63 111.725 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.28 0.562 . . . . 1.16 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.33 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.57 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.89 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.93 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.76 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.75 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.36 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.41 HG23 HD23 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.86 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.31 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.64 111.005 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.81 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.83 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.679 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.84 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.987 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.79 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.42 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 1.24 111.634 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 2.49 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 6.37 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.97 109.391 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 1.28 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.96 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.52 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 1.15 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.81 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.42 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.9 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.48 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.51 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.78 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.464 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.89 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 2.1 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.46 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.48 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.71 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.91 111.356 -179.702 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 1.22 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 1.08 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.84 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.19 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.92 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 1.62 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 1.01 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.54 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.83 112.161 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.46 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.78 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.987 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.85 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.82 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.07 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.84 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' C ' ' HG1' ' A' ' 22' ' ' THR . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65 113.467 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.425 ' HG1' ' C ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.78 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.9 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.78 112.032 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.69 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 1.29 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 2.23 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.57 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 1.18 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.91 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.88 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.41 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 1.45 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.81 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.39 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.86 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.9 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.55 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.48 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.79 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.63 111.299 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.238 -0.282 . . . . 8.29 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.59 101.3 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.296 -0.954 . . . . 6.13 112.296 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.04 8.43 86.57 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.986 -0.626 . . . . 4.93 113.129 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -87.98 116.39 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 117.044 0.422 . . . . 4.61 110.443 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -145.19 -175.44 4.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.196 -0.456 . . . . 2.27 110.121 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.86 -19.1 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.119 0.485 . . . . 1.16 110.368 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.33 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.57 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.89 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.246 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.76 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.401 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.75 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.36 110.66 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.86 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.31 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.64 111.548 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.81 111.735 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.83 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.667 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.84 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.973 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.79 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.42 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 1.24 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 2.49 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.479 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 6.37 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.441 ' H ' HD13 ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.97 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 1.28 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.96 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.52 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 1.15 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.463 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.42 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.9 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.48 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.51 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.78 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.89 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 2.1 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.46 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.48 110.153 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.71 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.97 158.7 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.91 110.847 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -127.64 174.78 8.79 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.108 -0.496 . . . . 2.83 110.19 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 68.74 85.09 0.14 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.49 0.716 . . . . 5.06 110.647 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.117 -0.944 . . . . 6.25 110.056 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.81 0.338 . . . . 10.51 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.85 -70.47 0.31 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.922 -0.656 . . . . 6.49 112.167 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.78 -165.56 22.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 5.02 112.023 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.08 34.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.115 0.483 . . . . 4.82 110.748 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.31 145.29 26.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 2.19 110.328 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -60.32 -34.89 59.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 1.22 111.277 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 1.08 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.84 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.19 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.92 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 1.62 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 1.01 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.54 110.438 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.83 112.743 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.46 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.78 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.973 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.85 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.82 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 1.07 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.84 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.78 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.601 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.9 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.78 111.044 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.69 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 1.29 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 2.23 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.57 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 1.18 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.91 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.41 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.88 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.41 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 1.45 110.649 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.81 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.39 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.86 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.9 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.55 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.48 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.79 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -122.07 13.47 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.63 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.89 54.05 0.48 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.293 -0.867 . . . . 4.04 110.286 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.354 -0.839 . . . . 4.3 110.945 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.114 -0.328 . . . . 8.29 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.91 77.17 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.463 -0.875 . . . . 6.13 111.456 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.97 43.4 99.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.286 -0.483 . . . . 4.93 112.373 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 31.7 pt -110.64 135.87 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.082 0.467 . . . . 4.61 111.563 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -124.68 135.0 52.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.823 -0.626 . . . . 2.27 109.417 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.36 -22.67 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.033 -0.531 . . . . 1.16 111.152 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.33 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.57 110.749 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.89 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.93 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.76 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.75 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.36 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.31 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.415 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.64 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.81 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.83 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.659 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.84 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.958 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.79 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.42 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 1.24 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 2.49 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.414 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 6.37 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.97 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 1.28 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.414 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.96 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.52 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 1.15 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.471 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.81 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.561 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.9 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.48 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.51 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.78 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.89 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 2.1 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.46 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.48 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.71 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.91 95.74 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.91 112.063 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -103.92 -8.24 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.353 0.597 . . . . 2.83 109.52 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.69 77.18 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.609 -1.178 . . . . 5.06 111.682 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.96 -1.019 . . . . 6.25 109.72 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.874 0.368 . . . . 10.51 110.054 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.89 -141.79 12.56 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.249 -0.74 . . . . 6.49 111.249 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.37 -161.29 29.45 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.202 -0.999 . . . . 5.02 112.731 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 26.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 4.82 110.606 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 86.77 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 2.19 110.818 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.66 -24.64 36.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.604 . . . . 1.22 111.878 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 1.08 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.84 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.19 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.92 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 1.62 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 1.01 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.54 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' O ' ' HZ ' ' B' ' 20' ' ' PHE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.83 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.46 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.78 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.85 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.82 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 1.07 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.84 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' C ' ' HG1' ' A' ' 22' ' ' THR . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65 114.057 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.525 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.78 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.9 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.78 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.69 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 1.29 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 2.23 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.57 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 1.18 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.91 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.88 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.41 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 1.45 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.81 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.39 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.86 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.9 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.55 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.48 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.79 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.41 -5.3 40.09 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.63 109.537 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 62.86 51.61 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.988 -1.005 . . . . 4.04 111.101 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.461 -0.78 . . . . 4.3 110.378 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.914 -0.402 . . . . 8.29 109.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.56 72.56 2.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.701 -0.762 . . . . 6.13 112.304 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.05 75.72 2.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.006 -0.616 . . . . 4.93 112.637 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 18.5 mt -79.33 97.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.943 0.401 . . . . 4.61 110.846 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -131.96 76.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.81 -0.441 . . . . 2.27 109.81 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm -54.41 -36.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.382 -0.826 . . . . 1.16 111.62 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.33 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.406 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.57 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.89 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.93 110.821 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.76 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.506 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.75 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.36 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.86 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.31 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.447 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.64 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.81 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.83 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.84 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.951 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.79 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.42 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 1.24 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 2.49 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.534 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 6.37 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.423 HD22 HG11 ' B' ' 16' ' ' VAL . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.97 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 1.28 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.534 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.96 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.52 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 1.15 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.405 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.81 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.529 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.42 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.9 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.48 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.51 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.78 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.89 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 2.1 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.491 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.46 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.48 110.119 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.71 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p -106.09 113.68 27.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.91 112.089 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -104.71 152.96 21.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.884 -0.598 . . . . 2.83 110.151 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.46 81.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.999 0.812 . . . . 5.06 111.661 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.048 -0.977 . . . . 6.25 109.97 179.808 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.065 -0.346 . . . . 10.51 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.79 179.6 47.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.087 -0.578 . . . . 6.49 111.795 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 128.21 3.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.972 -0.633 . . . . 5.02 111.959 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.9 90.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.916 0.389 . . . . 4.82 110.541 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -135.9 135.45 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.696 -0.684 . . . . 2.19 110.121 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm -53.47 -42.02 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 122.75 0.42 . . . . 1.22 111.853 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.406 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 1.08 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.84 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.19 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.92 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.62 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 1.01 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.54 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.83 112.654 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.46 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.78 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.951 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.85 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.82 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 1.07 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.84 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.78 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.9 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.78 111.682 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.69 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 1.29 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 2.23 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.57 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 1.18 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.91 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.41 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.88 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.41 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 1.45 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.81 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.39 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.86 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.9 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.55 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.48 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.79 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -109.14 -5.33 16.01 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.63 109.456 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 64.21 177.34 0.18 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.802 -1.09 . . . . 4.04 111.978 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.205 -0.902 . . . . 4.3 109.966 179.618 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.052 -0.351 . . . . 8.29 110.052 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.19 -173.89 28.1 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.534 -0.841 . . . . 6.13 112.099 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.557 ' O ' ' HA3' ' A' ' 3' ' ' GLY . . . -71.34 153.45 50.78 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.803 -0.713 . . . . 4.93 111.584 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 19.9 mt -118.14 110.94 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.998 0.428 . . . . 4.61 111.023 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 76.42 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.198 -0.455 . . . . 2.27 110.204 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -50.64 -42.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.709 . . . . 1.16 111.675 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.33 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.57 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.89 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.93 111.24 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.76 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.75 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.36 110.74 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.86 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.31 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.406 HG23 HG21 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.64 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.81 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.83 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.656 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.84 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.946 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.79 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.42 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 1.24 112.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 2.49 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 22' ' ' THR . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 6.37 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.97 110.817 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 1.28 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.494 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.96 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.52 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 1.15 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.81 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.42 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.9 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.48 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.51 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.78 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.49 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.89 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 2.1 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.46 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.48 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.71 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p -101.63 154.54 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.91 110.665 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -144.56 174.21 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.749 -0.463 . . . . 2.83 109.749 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.25 37.39 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.522 0.677 . . . . 5.06 110.77 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.022 -0.989 . . . . 6.25 109.834 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.693 -0.484 . . . . 10.51 109.693 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.13 13.72 14.96 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.21 -0.995 . . . . 6.49 112.812 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.557 ' HA3' ' O ' ' B' ' 3' ' ' GLY . . . 95.23 49.69 2.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.635 -0.793 . . . . 5.02 112.542 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pt -66.0 -19.84 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 4.82 111.166 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -14.31 58.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.46 -0.791 . . . . 2.19 112.164 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm -91.5 -46.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.78 0.324 . . . . 1.22 110.998 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 1.08 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.84 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.19 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.92 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 1.62 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 1.01 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.54 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 HG23 ' B' ' 16' ' ' VAL . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.83 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.46 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.78 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.946 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.85 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.82 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 1.07 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.84 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' B' ' 24' ' ' LYS . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.78 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.9 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD12 HG11 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.78 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.69 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 1.29 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 2.23 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.57 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 1.18 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.91 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.41 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.88 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.41 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 1.45 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.81 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.39 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.86 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.9 110.826 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.55 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.48 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.79 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -163.64 95.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.63 111.005 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 67.14 81.22 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.389 -0.823 . . . . 4.04 111.012 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.285 -0.864 . . . . 4.3 110.578 -179.727 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.58 0.228 . . . . 8.29 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.72 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 179.64 167.52 37.04 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.521 -0.847 . . . . 6.13 112.415 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.81 56.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.38 -0.688 . . . . 4.93 111.38 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.89 123.17 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.964 0.412 . . . . 4.61 110.589 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.526 ' HB2' ' OE1' ' B' ' 8' ' ' GLN . 16.4 m -145.2 150.54 36.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.084 -0.507 . . . . 2.27 109.813 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.93 -23.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.031 -0.531 . . . . 1.16 110.615 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.33 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.526 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.57 110.902 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.89 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.93 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.76 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.488 ' HB ' HD12 ' A' ' 10' ' ' LEU . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.75 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.36 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.31 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.64 110.841 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.81 111.592 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.83 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.84 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.958 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.79 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.42 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 1.24 112.424 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 2.49 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.4 ' HD2' ' HA3' ' A' ' 26' ' ' GLY . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 6.37 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.97 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 1.28 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.476 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.96 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.52 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 1.15 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.81 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.526 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.42 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.9 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.48 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.68 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.51 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.78 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.89 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 2.1 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.46 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.48 109.662 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.459 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.71 110.216 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -156.06 145.97 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.91 110.692 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -153.79 165.95 34.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.05 -0.352 . . . . 2.83 110.05 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.68 69.36 0.65 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.709 0.63 . . . . 5.06 110.709 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.02 -0.991 . . . . 6.25 109.934 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.72 ' SD ' ' HA3' ' B' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.998 -0.371 . . . . 10.51 109.998 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.57 -146.07 16.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.807 -0.711 . . . . 6.49 111.936 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.06 178.71 47.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 5.02 112.392 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 pt -64.72 107.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 4.82 110.805 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -128.92 -173.02 2.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 2.19 110.303 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.73 -28.36 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 1.22 110.979 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 1.08 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.84 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.19 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.552 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.92 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 1.62 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 1.01 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.54 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.83 112.154 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.46 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.78 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.85 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.82 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 1.07 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.84 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.78 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.9 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' H ' ' A' ' 25' ' ' LEU . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.78 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.69 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 1.29 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 2.23 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 1.18 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.91 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.749 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.41 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.88 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.41 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.749 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 1.45 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.81 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.39 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.86 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.9 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.55 109.28 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.48 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.79 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -85.01 82.4 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.63 110.053 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.55 -157.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.752 -1.113 . . . . 4.04 111.086 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' B' ' 43' ' ' MET . 25.7 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.319 -0.848 . . . . 4.3 110.172 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.6 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.833 -0.432 . . . . 8.29 109.833 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.06 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.824 -0.703 . . . . 6.13 111.904 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.58 176.12 37.41 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.677 -0.773 . . . . 4.93 112.354 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 pt -124.76 -165.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.436 -0.209 . . . . 4.61 110.436 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 81.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 2.27 111.049 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -91.44 -20.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.733 -0.667 . . . . 1.16 111.32 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.33 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.538 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.57 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.89 109.831 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 14' ' ' VAL . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.93 111.138 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.76 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.449 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.75 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.36 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 10' ' ' LEU . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.86 110.444 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.31 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.64 111.569 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.81 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.83 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.657 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.84 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.985 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.79 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.42 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 1.24 111.513 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 2.49 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.437 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 6.37 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.97 109.807 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 1.28 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.96 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.52 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 1.15 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.442 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.81 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.607 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.42 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.9 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.48 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.51 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.78 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.89 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.648 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 2.1 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.46 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.48 109.557 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.648 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.71 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p -95.19 166.34 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.91 111.516 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.5 163.89 30.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.679 -0.692 . . . . 2.83 109.494 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.52 48.68 21.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.05 0.844 . . . . 5.06 111.291 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.057 -0.973 . . . . 6.25 110.075 179.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.894 0.378 . . . . 10.51 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.13 153.78 18.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.801 -0.714 . . . . 6.49 112.043 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.59 26.06 63.95 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.578 . . . . 5.02 112.281 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.8 mt -123.44 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.132 0.492 . . . . 4.82 110.344 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -104.47 -158.44 0.66 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.859 -0.61 . . . . 2.19 109.917 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.38 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 1.22 109.888 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.538 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 1.08 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.84 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.19 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.92 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 1.62 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 1.01 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.54 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.83 112.353 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.46 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.78 112.653 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.985 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.85 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.82 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 1.07 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.84 111.71 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.78 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.9 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.78 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.69 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 1.29 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 2.23 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.57 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 1.18 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.91 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.41 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.88 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.41 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 1.45 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.81 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.39 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.86 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.9 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.55 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.48 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' HA ' ' OE2' ' A' ' 47' ' ' GLU . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.79 110.238 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -170.97 105.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.63 110.88 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.27 81.95 0.12 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.354 0.597 . . . . 4.04 111.649 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' OE2' ' HA ' ' A' ' 44' ' ' SER . 14.5 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 4.3 110.332 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ptt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.006 -0.368 . . . . 8.29 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.2 -157.36 14.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.608 -0.806 . . . . 6.13 111.822 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.86 -50.04 0.11 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.925 -0.655 . . . . 4.93 111.62 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.82 25.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.362 . . . . 4.61 111.485 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -66.88 100.15 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 2.27 110.886 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.48 -25.66 35.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.971 -0.559 . . . . 1.16 111.72 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.33 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.534 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.57 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.89 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.93 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.76 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG2' ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.75 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.86 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.31 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.64 111.888 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.81 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.83 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.675 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.84 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.959 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.79 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.42 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 1.24 112.552 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 2.49 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.538 ' O ' HG21 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 6.37 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.97 113.063 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 1.28 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.538 HG21 ' O ' ' B' ' 24' ' ' LYS . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.96 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.52 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 1.15 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.81 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.548 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.42 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.9 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.48 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.548 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.51 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.78 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.457 ' CE1' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.89 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 2.1 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.46 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.48 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.71 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p -118.95 141.0 49.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.91 111.126 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.02 141.05 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.947 -0.57 . . . . 2.83 109.468 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 74.2 -47.3 0.64 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.084 0.865 . . . . 5.06 111.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.421 -0.8 . . . . 6.25 110.72 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.558 0.218 . . . . 10.51 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.45 -34.04 46.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 6.49 112.641 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.08 103.77 1.53 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.817 -0.706 . . . . 5.02 112.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -86.29 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.531 0.681 . . . . 4.82 110.362 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -85.13 -175.23 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 2.19 110.817 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.1 -26.85 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 1.22 110.753 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.534 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 1.08 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.84 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.19 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.92 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 1.62 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 1.01 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.54 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.83 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.46 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.78 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.959 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.85 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.82 110.927 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 1.07 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.84 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.78 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.9 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.78 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.69 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 1.29 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 2.23 111.17 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.57 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 1.18 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.91 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.71 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.41 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.88 110.533 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.41 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 1.45 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.81 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.39 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.86 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.9 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.55 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.48 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.79 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.15 41.55 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.63 110.235 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.97 52.33 3.39 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.263 -0.881 . . . . 4.04 110.343 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.251 1.151 0 CA-C-N 115.127 -0.942 . . . . 4.3 110.806 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.107 -0.331 . . . . 8.29 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.89 81.89 1.24 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.74 -0.743 . . . . 6.13 111.454 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.71 35.41 0.69 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.65 . . . . 4.93 111.628 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -96.96 110.52 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 4.61 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -139.38 152.26 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.398 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.09 -25.81 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 1.16 110.825 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.33 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.57 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.89 109.987 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.93 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.76 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.492 ' CG2' HG22 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.75 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.36 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.86 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.31 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.404 HG11 HD22 ' B' ' 25' ' ' LEU . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.64 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.422 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.81 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.83 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.642 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.84 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.969 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.79 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.42 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 1.24 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 2.49 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.51 ' O ' HG21 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 6.37 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' B' ' 17' ' ' VAL . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.97 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 1.28 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.51 HG21 ' O ' ' B' ' 24' ' ' LYS . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.96 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.52 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 1.15 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.423 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.81 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.449 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.42 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.9 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.48 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.449 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.51 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.78 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.89 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 2.1 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.48 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.71 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -108.57 116.61 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.182 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 59.16 56.1 4.05 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.85 0.719 . . . . 2.83 110.986 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.39 72.06 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 5.06 111.41 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.018 -0.992 . . . . 6.25 109.791 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.75 -0.463 . . . . 10.51 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.26 72.66 2.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.647 -0.787 . . . . 6.49 112.914 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.94 100.72 0.76 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.518 -0.849 . . . . 5.02 112.433 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 pt -77.22 93.7 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.501 0.667 . . . . 4.82 110.726 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -113.43 120.19 40.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.873 -0.603 . . . . 2.19 110.31 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -53.69 -36.11 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.408 0.442 . . . . 1.22 111.945 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 1.08 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.84 111.537 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.19 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.92 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 1.62 110.454 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 1.01 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.54 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG22 ' CG2' ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.83 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.46 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.78 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.969 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.85 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.82 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 1.07 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.84 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.78 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.9 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.78 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.69 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 1.29 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 2.23 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.57 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 1.18 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.91 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.41 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.88 110.744 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.41 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 1.45 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.81 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.39 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.86 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' A' ' 47' ' ' GLU . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.9 111.116 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.55 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.48 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.79 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -147.79 64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.63 111.148 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 59.62 81.76 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.418 -0.81 . . . . 4.04 112.632 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' A' ' 40' ' ' LYS . 18.0 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.42 -0.8 . . . . 4.3 109.838 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.774 0.321 . . . . 8.29 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.56 93.07 1.23 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.81 -0.709 . . . . 6.13 112.71 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.43 38.9 93.91 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.282 -0.485 . . . . 4.93 112.537 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 53.2 mt -118.82 110.3 29.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 4.61 110.96 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -128.16 167.85 16.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.562 . . . . 2.27 109.901 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.4 -20.43 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 1.16 109.704 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.33 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.57 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.549 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.89 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.93 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.451 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.76 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.451 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.75 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.36 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.86 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.31 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' B' ' 13' ' ' ALA . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.64 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.81 111.42 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.83 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.616 HD23 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.84 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.947 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.79 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.42 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 1.24 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 2.49 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.429 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 6.37 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.47 HD13 ' H ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.97 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 1.28 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.445 HG23 ' C ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.96 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.52 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 1.15 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.81 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.42 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.9 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.48 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.51 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.78 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.414 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.89 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 2.1 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.46 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.48 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.71 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -86.7 35.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.91 111.555 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 72.21 -73.28 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.715 -0.675 . . . . 2.83 110.677 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.71 128.3 1.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.131 -0.322 . . . . 5.06 110.131 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.994 -1.003 . . . . 6.25 109.752 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.032 0.444 . . . . 10.51 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.9 154.93 25.65 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.958 -0.639 . . . . 6.49 111.904 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.92 30.96 21.92 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.259 -0.736 . . . . 5.02 111.259 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pt -102.31 91.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.923 0.392 . . . . 4.82 111.529 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -114.03 165.53 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.793 -0.447 . . . . 2.19 109.793 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -50.79 -36.39 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 1.22 112.113 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 1.08 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.84 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.19 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.549 ' CD1' HD11 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.92 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.62 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 1.01 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.54 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG21 HG21 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.83 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.46 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.78 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.947 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.85 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.82 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 1.07 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.84 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.78 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.9 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' C ' HG23 ' B' ' 28' ' ' ILE . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.78 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.69 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 1.29 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 2.23 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.57 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 1.18 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.91 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.41 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.88 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.41 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 1.45 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.81 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.39 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.86 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.9 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.522 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.55 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.48 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.79 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.55 47.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.63 111.725 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 52.23 37.15 21.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.052 -0.522 . . . . 4.04 111.455 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.622 -0.704 . . . . 4.3 110.322 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.493 ' SD ' ' HB ' ' B' ' 4' ' ' ILE . 17.5 mmt . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.841 0.353 . . . . 8.29 110.661 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.43 67.69 0.38 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.655 -0.783 . . . . 6.13 111.919 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.83 30.46 10.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 4.93 111.659 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.493 ' HB ' ' SD ' ' B' ' 1' ' ' MET . 40.9 mm -106.75 101.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.916 0.389 . . . . 4.61 110.747 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -77.26 131.97 38.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 2.27 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.21 -25.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.28 0.562 . . . . 1.16 109.739 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.33 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.57 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.89 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.93 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.76 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.486 ' HB ' HD12 ' A' ' 10' ' ' LEU . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.75 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.36 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.41 HG23 HD23 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.86 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.31 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.64 111.005 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.81 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.83 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.679 HD23 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.84 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.987 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.79 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.42 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 1.24 111.634 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 2.49 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 6.37 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.97 109.391 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 1.28 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.96 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.52 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 1.15 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.81 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.42 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.9 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.48 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.51 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.78 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.464 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.89 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 2.1 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' B' ' 47' ' ' GLU . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.46 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.486 ' HB1' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.48 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.71 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p -128.83 147.66 50.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.91 111.356 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -148.94 173.49 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.748 -0.66 . . . . 2.83 109.349 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.53 46.65 5.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.611 0.72 . . . . 5.06 110.236 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' B' ' 41' ' ' LYS . 45.5 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.92 -1.038 . . . . 6.25 109.558 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.92 0.391 . . . . 10.51 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.92 -31.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.814 -0.63 . . . . 6.49 112.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.25 -94.2 1.61 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.709 -0.757 . . . . 5.02 112.044 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -152.95 124.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 4.82 110.575 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -148.09 179.64 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.068 -0.514 . . . . 2.19 110.661 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.99 -31.31 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 1.22 111.331 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 1.08 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.84 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.19 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD12 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.92 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 1.62 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 1.01 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.54 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.83 112.161 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.46 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.78 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.987 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.85 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.82 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.07 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.84 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' C ' ' HG1' ' A' ' 22' ' ' THR . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65 113.467 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.425 ' HG1' ' C ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.78 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.9 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.78 112.032 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.69 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 1.29 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 2.23 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.57 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 1.18 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.91 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.88 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.41 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 1.45 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.81 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.39 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.86 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.9 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.55 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.48 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.79 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -152.24 138.75 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.63 111.299 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t0 65.64 8.69 5.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.325 -0.852 . . . . 4.04 112.082 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.13 -0.938 . . . . 4.3 109.513 179.059 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.119 0.485 . . . . 0.92 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.14 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.57 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.49 111.246 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.04 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.876 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.32 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.34 110.66 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.36 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.28 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.702 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.28 111.548 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.44 ' HA ' HD11 ' B' ' 25' ' ' LEU . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.35 111.735 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.44 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.35 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.982 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.05 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.34 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 0.85 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 1.89 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.477 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 5.98 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.86 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 0.89 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.25 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.5 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 0.94 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.59 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.42 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.49 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.48 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.03 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.7 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.48 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.61 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.04 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.41 110.153 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.39 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.35 110.847 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.565 0.222 . . . . 0.96 111.277 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.92 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.02 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.52 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 0.99 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 0.61 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.49 110.438 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.876 HG21 HG22 ' B' ' 12' ' ' ILE . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.34 112.743 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.42 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.51 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.982 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.37 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.4 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.47 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.12 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.33 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.622 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.36 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 17' ' ' VAL . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.66 111.044 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.69 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 0.78 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 1.52 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.52 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 0.95 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.28 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.38 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.43 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.41 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 0.94 110.649 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.34 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.48 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.48 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.15 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.01 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.2 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.63 109.916 -179.685 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.723 0.297 . . . . 0.92 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.14 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.403 ' O ' HG13 ' B' ' 12' ' ' ILE . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.57 110.749 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.61 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.49 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.04 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.878 HG22 HG21 ' A' ' 14' ' ' VAL . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.32 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.34 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.28 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.28 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.35 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.44 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.35 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.05 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.34 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 0.85 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 1.89 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 5.98 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.86 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 0.89 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.25 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.5 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 0.94 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.59 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.57 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.49 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.48 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.03 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.7 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.48 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 1.61 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.04 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.41 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.35 112.063 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 111.878 0.325 . . . . 0.96 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 0.92 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.5 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.02 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.52 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.99 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 0.61 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.49 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.878 HG21 HG22 ' B' ' 12' ' ' ILE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.34 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.42 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.51 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.37 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.4 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 0.47 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.12 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65 114.057 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.535 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.33 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.36 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.66 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.69 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 0.78 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 1.52 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.52 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 0.95 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.28 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.685 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.38 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.43 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.41 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.94 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.68 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.34 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.48 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.48 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.15 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.01 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.2 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.63 109.537 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.057 0.456 . . . . 0.92 111.62 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.14 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.442 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.57 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.61 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.49 110.821 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.04 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.907 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.32 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.34 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.36 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.28 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.28 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.35 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.44 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.35 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.963 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.05 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.34 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 0.85 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 1.89 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 5.98 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.475 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.86 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 0.89 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.545 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.25 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.5 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.94 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.59 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.536 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.42 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.49 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.48 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.03 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.7 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.48 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.61 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.505 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.04 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.41 110.119 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.39 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.35 112.089 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.853 0.316 . . . . 0.96 111.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.442 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.92 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.02 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.52 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.99 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 0.61 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.49 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HG22 ' B' ' 12' ' ' ILE . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.34 112.654 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.42 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.51 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.963 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.37 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.47 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.12 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.538 HG22 HG12 ' A' ' 17' ' ' VAL . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.33 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.36 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD13 HG13 ' A' ' 17' ' ' VAL . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.69 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 0.78 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 1.52 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.52 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 0.95 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.28 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.38 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.43 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.41 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 0.94 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.68 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.34 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.48 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.48 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.15 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.01 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.2 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.63 109.456 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.675 0.25 . . . . 0.92 111.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.14 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.57 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.61 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 10' ' ' LEU . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.49 111.24 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.04 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.888 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.32 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.34 110.74 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.36 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.28 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.724 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.28 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.35 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.44 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.35 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.05 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.34 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.45 ' HA ' HD13 ' B' ' 25' ' ' LEU . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 0.85 112.06 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 1.89 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 28' ' ' ILE . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 5.98 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 22' ' ' THR . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.86 110.817 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 0.89 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.891 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.25 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.5 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 0.94 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.59 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.42 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.49 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.48 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.03 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.7 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.506 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.48 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 1.61 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.04 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.41 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.39 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.35 110.665 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.78 0.324 . . . . 0.96 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 0.92 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.5 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.02 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.52 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 0.99 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.61 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.49 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.888 HG21 HG22 ' B' ' 12' ' ' ILE . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.34 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.42 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.51 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.37 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.4 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.47 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.12 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.603 HG22 HG12 ' A' ' 17' ' ' VAL . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.33 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.36 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD13 HG13 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.66 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.891 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.69 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 0.78 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 1.52 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.52 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 0.95 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.38 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.43 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.41 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 0.94 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.68 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.34 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.48 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HG2' ' HD1' ' B' ' 39' ' ' PHE . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.48 110.826 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.15 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.01 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.2 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.63 111.005 -179.5 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' B' ' 9' ' ' LEU . 38.4 mm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.783 0.325 . . . . 0.92 110.615 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.14 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.57 110.902 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.576 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.49 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.04 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 14' ' ' VAL . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.32 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.34 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.36 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.28 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.831 HG23 HG13 ' A' ' 14' ' ' VAL . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.28 110.841 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.508 HG13 HG23 ' B' ' 22' ' ' THR . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.35 111.592 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.44 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.35 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.34 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.508 HG23 HG13 ' B' ' 17' ' ' VAL . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 0.85 112.424 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 1.89 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' HG22 ' A' ' 22' ' ' THR . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 5.98 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.86 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 0.89 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.25 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.5 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 0.94 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.59 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.537 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.42 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.49 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.48 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.689 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.03 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.7 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.689 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.48 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 1.61 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.04 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.41 109.662 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.39 110.216 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.35 110.692 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 0.96 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 0.92 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.5 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.02 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.52 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 0.99 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 0.61 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.49 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.831 HG13 HG23 ' B' ' 16' ' ' VAL . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.34 112.154 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.42 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.51 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.37 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.4 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.12 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.528 HG22 ' HB2' ' B' ' 24' ' ' LYS . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.33 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.36 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' VAL . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.66 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.69 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 0.78 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 1.52 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.52 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 0.95 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.28 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.747 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.38 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.43 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.41 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 0.94 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.68 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.34 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.48 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.683 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.48 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.15 109.28 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.01 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.2 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.63 110.053 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.633 0.254 . . . . 0.92 111.32 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.14 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.602 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.57 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.556 HD13 HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.61 109.831 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.49 111.138 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.04 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.32 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.34 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.444 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.28 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 20' ' ' PHE . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.28 111.569 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.35 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.44 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.663 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.35 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.992 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.05 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.34 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.663 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 0.85 111.513 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 1.89 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 5.98 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.86 109.807 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 0.89 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.25 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.5 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 0.94 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.59 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.42 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.49 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.48 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.03 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.7 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.48 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 1.61 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.04 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.41 109.557 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.39 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.35 111.516 -179.624 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 0.96 109.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.602 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 0.92 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.5 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.02 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.99 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 0.61 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.49 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.34 112.353 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.42 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.51 112.653 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.992 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.37 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.4 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.47 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.12 111.71 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.33 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.36 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.66 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.69 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 0.78 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 1.52 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.52 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 0.95 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.28 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.38 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.43 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.41 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.68 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.34 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.48 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.48 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.15 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.01 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.2 110.238 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.63 110.88 -179.223 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.72 0.267 . . . . 0.92 111.72 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.14 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.532 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.57 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.623 HD13 HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.61 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.49 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.04 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.895 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.32 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.34 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.36 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.28 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.669 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.28 111.888 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.35 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.44 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.35 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.966 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.05 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.34 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 0.85 112.552 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 1.89 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.671 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 5.98 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.428 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.86 113.063 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 0.89 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.687 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.25 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.5 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 0.94 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.59 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.558 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.42 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.49 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.48 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.03 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.7 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.48 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 1.61 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.04 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.41 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.39 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.35 111.126 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.96 110.753 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.92 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.5 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.02 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.52 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 0.99 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 0.61 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.49 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 HG22 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.34 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.42 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.51 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.966 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.37 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.4 110.927 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.47 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.12 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.33 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.36 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.66 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.69 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 0.78 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 28' ' ' ILE . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 1.52 111.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.52 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 0.95 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.38 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.43 110.533 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.41 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.94 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.68 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.34 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.48 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.48 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.15 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.01 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.2 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.63 110.235 179.351 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.912 0.387 . . . . 0.92 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.14 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.57 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' B' ' 9' ' ' LEU . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.61 109.987 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.04 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.761 HG22 HG21 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.32 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.34 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.36 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.28 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.28 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.35 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.44 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.35 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.978 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.05 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.34 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 0.85 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 1.89 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.611 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 5.98 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.501 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.86 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 0.89 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.9 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.25 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.5 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 0.94 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.59 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.464 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.42 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.49 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.48 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.464 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.03 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.7 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.48 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 1.61 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.41 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.39 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.35 111.182 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.945 0.35 . . . . 0.96 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.92 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.5 111.537 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.02 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.52 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.99 110.454 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.61 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.49 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.761 HG21 HG22 ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.34 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.42 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.51 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.978 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.37 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.4 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 0.47 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.12 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.402 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.33 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.36 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.66 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.9 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.69 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 0.78 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 1.52 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.52 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 0.95 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.28 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.38 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.43 110.744 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.41 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.94 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.68 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.34 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.48 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.48 111.116 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.15 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.01 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.581 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.2 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.63 111.148 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.421 0.629 . . . . 0.92 109.704 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.14 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.57 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.61 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.49 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.04 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.898 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.32 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.34 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.36 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.28 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.705 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.28 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' B' ' 25' ' ' LEU . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.35 111.42 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.44 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.35 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.05 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.34 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 0.85 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 1.89 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.434 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 5.98 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.59 HD12 ' H ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.86 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 0.89 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.878 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.25 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.5 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 0.94 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.59 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.42 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.49 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.48 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.03 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.7 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.426 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.48 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 1.61 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.04 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.41 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.39 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.35 111.555 -178.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 9' ' ' LEU . 32.8 mm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 0.96 112.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.92 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.5 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.02 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.609 HD12 HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.52 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.99 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.61 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.49 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.898 HG21 HG22 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.34 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.42 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.51 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.37 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.4 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.47 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.12 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.33 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.36 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.66 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.878 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.69 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 0.78 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 1.52 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.52 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.95 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.28 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.38 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.43 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.41 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 0.94 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.68 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.34 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.48 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.48 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.15 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.01 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.2 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.63 111.725 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.28 0.562 . . . . 0.92 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.14 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.57 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.61 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.49 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.04 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.32 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.34 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.408 HG23 HD22 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.36 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.433 ' HA ' HD21 ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.28 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.28 111.005 179.27 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.35 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.44 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.35 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.994 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.05 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.34 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.664 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 0.85 111.634 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 1.89 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 5.98 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' B' ' 22' ' ' THR . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.86 109.391 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 0.89 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.25 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 0.94 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.59 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.42 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.49 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.48 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.03 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.7 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.48 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 1.61 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.04 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.41 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.39 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.35 111.356 -179.702 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 0.96 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.92 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.5 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.02 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.501 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.52 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.99 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 0.61 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.49 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.34 112.161 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 ' HA ' HD21 ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.42 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.51 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.994 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.37 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.4 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.47 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.12 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65 113.467 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.33 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.36 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 17' ' ' VAL . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.66 112.032 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.69 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 0.78 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 1.52 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.52 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 0.95 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.28 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.38 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.43 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.41 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 0.94 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.68 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.48 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.48 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.15 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.01 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.2 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.63 111.299 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.238 -0.282 . . . . 8.01 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.59 101.3 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.296 -0.954 . . . . 6.08 112.296 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.04 8.43 86.57 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.986 -0.626 . . . . 4.8 113.129 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -87.98 116.39 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 117.044 0.422 . . . . 4.2 110.443 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -145.19 -175.44 4.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.196 -0.456 . . . . 2.22 110.121 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.86 -19.1 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.119 0.485 . . . . 0.92 110.368 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.14 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.57 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.49 111.246 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.04 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.876 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.32 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.34 110.66 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.36 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.28 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.702 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.28 111.548 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.44 ' HA ' HD11 ' B' ' 25' ' ' LEU . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.35 111.735 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.44 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.35 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.982 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.05 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.34 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 0.85 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 1.89 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.477 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 5.98 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.517 HD12 ' H ' ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.86 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 0.89 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.25 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.5 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 0.94 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.59 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.42 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.49 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.48 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.03 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.7 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.48 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.61 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.04 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.41 110.153 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.39 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.97 158.7 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.35 110.847 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -127.64 174.78 8.79 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.108 -0.496 . . . . 2.83 110.19 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 68.74 85.09 0.14 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.49 0.716 . . . . 5.06 110.647 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.117 -0.944 . . . . 6.25 110.056 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.81 0.338 . . . . 10.04 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.85 -70.47 0.31 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.922 -0.656 . . . . 6.32 112.167 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.78 -165.56 22.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 4.68 112.023 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.08 34.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.115 0.483 . . . . 4.39 110.748 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.31 145.29 26.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 2.02 110.328 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -60.32 -34.89 59.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.96 111.277 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.92 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.02 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.52 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 0.99 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 0.61 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.49 110.438 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.876 HG21 HG22 ' B' ' 12' ' ' ILE . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.34 112.743 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.42 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.51 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.982 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.37 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.4 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.47 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.12 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.33 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.622 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.36 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 17' ' ' VAL . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.66 111.044 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.69 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 0.78 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 1.52 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.52 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 0.95 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.28 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.38 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.43 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.41 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 0.94 110.649 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.34 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.48 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.48 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.15 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.01 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.2 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -122.07 13.47 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.63 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.89 54.05 0.48 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.293 -0.867 . . . . 4.04 110.286 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.354 -0.839 . . . . 4.3 110.945 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.114 -0.328 . . . . 8.01 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.91 77.17 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.463 -0.875 . . . . 6.08 111.456 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.97 43.4 99.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.286 -0.483 . . . . 4.8 112.373 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 31.7 pt -110.64 135.87 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.082 0.467 . . . . 4.2 111.563 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -124.68 135.0 52.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.823 -0.626 . . . . 2.22 109.417 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.36 -22.67 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.033 -0.531 . . . . 0.92 111.152 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.14 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.403 ' O ' HG13 ' B' ' 12' ' ' ILE . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.57 110.749 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.61 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.49 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.04 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.878 HG22 HG21 ' A' ' 14' ' ' VAL . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.32 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.34 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.36 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.28 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.28 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.35 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.44 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.35 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.05 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.34 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 0.85 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 1.89 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 5.98 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.86 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 0.89 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.25 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.5 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 0.94 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.59 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.57 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.49 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.48 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.03 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.7 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.48 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 1.61 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.04 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.41 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.91 95.74 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.35 112.063 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -103.92 -8.24 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.353 0.597 . . . . 2.83 109.52 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.69 77.18 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.609 -1.178 . . . . 5.06 111.682 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.96 -1.019 . . . . 6.25 109.72 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.874 0.368 . . . . 10.04 110.054 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.89 -141.79 12.56 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.249 -0.74 . . . . 6.32 111.249 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.37 -161.29 29.45 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.202 -0.999 . . . . 4.68 112.731 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 26.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 4.39 110.606 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 86.77 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 2.02 110.818 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.66 -24.64 36.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.96 111.878 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 0.92 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.5 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.02 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.52 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.99 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 0.61 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.49 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.878 HG21 HG22 ' B' ' 12' ' ' ILE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.34 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.42 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.51 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.37 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.4 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 0.47 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.12 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65 114.057 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.535 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.33 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.36 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.66 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.69 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 0.78 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 1.52 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.52 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 0.95 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.28 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.685 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.38 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.43 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.41 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.94 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.68 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.34 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.48 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.48 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.15 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.01 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.2 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.41 -5.3 40.09 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.63 109.537 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 62.86 51.61 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.988 -1.005 . . . . 4.04 111.101 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.461 -0.78 . . . . 4.3 110.378 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.914 -0.402 . . . . 8.01 109.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.56 72.56 2.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.701 -0.762 . . . . 6.08 112.304 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.05 75.72 2.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.006 -0.616 . . . . 4.8 112.637 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 18.5 mt -79.33 97.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.943 0.401 . . . . 4.2 110.846 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -131.96 76.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.81 -0.441 . . . . 2.22 109.81 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm -54.41 -36.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.382 -0.826 . . . . 0.92 111.62 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.14 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.442 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.57 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.61 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.49 110.821 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.04 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.907 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.32 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.34 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.36 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.28 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.28 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.35 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.44 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.35 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.963 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.05 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.34 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 0.85 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 1.89 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 5.98 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.475 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.86 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 0.89 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.545 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.25 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.5 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.94 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.59 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.536 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.42 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.49 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.48 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.03 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.7 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.48 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.61 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.505 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.04 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.41 110.119 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.39 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p -106.09 113.68 27.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.35 112.089 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -104.71 152.96 21.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.884 -0.598 . . . . 2.83 110.151 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.46 81.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.999 0.812 . . . . 5.06 111.661 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.048 -0.977 . . . . 6.25 109.97 179.808 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.065 -0.346 . . . . 10.04 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.79 179.6 47.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.087 -0.578 . . . . 6.32 111.795 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 128.21 3.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.972 -0.633 . . . . 4.68 111.959 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.9 90.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.916 0.389 . . . . 4.39 110.541 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -135.9 135.45 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.696 -0.684 . . . . 2.02 110.121 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm -53.47 -42.02 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 122.75 0.42 . . . . 0.96 111.853 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.442 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.92 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.02 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.52 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.99 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 0.61 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.49 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HG22 ' B' ' 12' ' ' ILE . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.34 112.654 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.42 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.51 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.963 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.37 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.4 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.47 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.12 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.538 HG22 HG12 ' A' ' 17' ' ' VAL . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.33 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.36 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD13 HG13 ' A' ' 17' ' ' VAL . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.69 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 0.78 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 1.52 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.52 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 0.95 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.28 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.38 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.43 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.41 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 0.94 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.68 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.34 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.48 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.48 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.15 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.01 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.2 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -109.14 -5.33 16.01 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.63 109.456 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 64.21 177.34 0.18 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.802 -1.09 . . . . 4.04 111.978 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.205 -0.902 . . . . 4.3 109.966 179.618 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.052 -0.351 . . . . 8.01 110.052 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.19 -173.89 28.1 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.534 -0.841 . . . . 6.08 112.099 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.571 ' O ' ' HA3' ' A' ' 3' ' ' GLY . . . -71.34 153.45 50.78 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.803 -0.713 . . . . 4.8 111.584 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.4 HG23 HG21 ' A' ' 6' ' ' ILE . 19.9 mt -118.14 110.94 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.998 0.428 . . . . 4.2 111.023 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 76.42 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.198 -0.455 . . . . 2.22 110.204 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -50.64 -42.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.709 . . . . 0.92 111.675 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.14 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.57 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.61 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 10' ' ' LEU . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.49 111.24 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.04 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.888 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.32 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.34 110.74 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.36 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.28 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.724 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.28 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.35 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.44 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.35 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.05 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.34 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.45 ' HA ' HD13 ' B' ' 25' ' ' LEU . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 0.85 112.06 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 1.89 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 28' ' ' ILE . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 5.98 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 22' ' ' THR . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.86 110.817 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 0.89 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.891 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.25 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.5 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 0.94 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.59 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.42 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.49 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.48 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.03 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.7 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.506 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.48 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 1.61 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.04 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.41 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.39 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p -101.63 154.54 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.35 110.665 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -144.56 174.21 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.749 -0.463 . . . . 2.83 109.749 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.25 37.39 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.522 0.677 . . . . 5.06 110.77 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.022 -0.989 . . . . 6.25 109.834 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.693 -0.484 . . . . 10.04 109.693 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.13 13.72 14.96 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.21 -0.995 . . . . 6.32 112.812 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' B' ' 3' ' ' GLY . . . 95.23 49.69 2.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.635 -0.793 . . . . 4.68 112.542 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pt -66.0 -19.84 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 4.39 111.166 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -14.31 58.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.46 -0.791 . . . . 2.02 112.164 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 HG21 HG23 ' B' ' 4' ' ' ILE . 46.1 mm -91.5 -46.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.78 0.324 . . . . 0.96 110.998 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 0.92 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.5 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.02 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.52 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 0.99 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.61 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.49 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.888 HG21 HG22 ' B' ' 12' ' ' ILE . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.34 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.42 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.51 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.37 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.4 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.47 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.12 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.603 HG22 HG12 ' A' ' 17' ' ' VAL . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.33 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.36 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD13 HG13 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.66 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.891 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.69 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 0.78 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 1.52 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.52 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 0.95 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.38 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.43 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.41 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 0.94 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.68 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.34 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.48 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HG2' ' HD1' ' B' ' 39' ' ' PHE . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.48 110.826 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.15 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.01 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.2 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -163.64 95.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.63 111.005 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 67.14 81.22 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.389 -0.823 . . . . 4.04 111.012 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.285 -0.864 . . . . 4.3 110.578 -179.727 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.403 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 23.6 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.58 0.228 . . . . 8.01 110.466 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.727 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 179.64 167.52 37.04 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.521 -0.847 . . . . 6.08 112.415 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.81 56.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.38 -0.688 . . . . 4.8 111.38 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 5' ' ' SER . 14.8 mt -96.89 123.17 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.964 0.412 . . . . 4.2 110.589 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.533 ' HB2' ' OE1' ' B' ' 8' ' ' GLN . 16.4 m -145.2 150.54 36.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.084 -0.507 . . . . 2.22 109.813 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' B' ' 9' ' ' LEU . 38.4 mm -65.93 -23.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.031 -0.531 . . . . 0.92 110.615 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.14 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.533 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.57 110.902 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.576 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.61 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.49 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.04 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 14' ' ' VAL . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.32 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.34 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.36 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.28 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.831 HG23 HG13 ' A' ' 14' ' ' VAL . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.28 110.841 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.508 HG13 HG23 ' B' ' 22' ' ' THR . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.35 111.592 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.44 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.35 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.34 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.508 HG23 HG13 ' B' ' 17' ' ' VAL . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 0.85 112.424 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 1.89 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' HG22 ' A' ' 22' ' ' THR . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 5.98 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.86 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 0.89 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.25 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.5 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 0.94 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.59 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.537 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.42 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.49 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.48 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.689 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.03 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.7 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.689 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.48 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 1.61 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.04 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.41 109.662 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.39 110.216 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -156.06 145.97 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.35 110.692 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -153.79 165.95 34.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.05 -0.352 . . . . 2.83 110.05 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.68 69.36 0.65 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.709 0.63 . . . . 5.06 110.709 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.02 -0.991 . . . . 6.25 109.934 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.727 ' SD ' ' HA3' ' B' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.998 -0.371 . . . . 10.04 109.998 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.57 -146.07 16.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.807 -0.711 . . . . 6.32 111.936 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.06 178.71 47.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 4.68 112.392 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 pt -64.72 107.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 4.39 110.805 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HB3' HD11 ' B' ' 4' ' ' ILE . 14.6 m -128.92 -173.02 2.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 2.02 110.303 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.73 -28.36 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 0.96 110.979 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 0.92 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.5 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.02 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.52 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 0.99 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 0.61 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.49 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.831 HG13 HG23 ' B' ' 16' ' ' VAL . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.34 112.154 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.42 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.51 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.37 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.4 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.12 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.528 HG22 ' HB2' ' B' ' 24' ' ' LYS . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.33 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.36 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' VAL . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.66 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.69 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 0.78 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 1.52 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.52 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 0.95 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.28 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.747 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.38 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.43 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.41 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 0.94 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.68 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.34 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.48 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.683 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.48 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.15 109.28 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.01 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.2 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -85.01 82.4 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.63 110.053 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.55 -157.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.752 -1.113 . . . . 4.04 111.086 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 43' ' ' MET . 25.7 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.319 -0.848 . . . . 4.3 110.172 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.6 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.833 -0.432 . . . . 8.01 109.833 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.06 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.824 -0.703 . . . . 6.08 111.904 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.58 176.12 37.41 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.677 -0.773 . . . . 4.8 112.354 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.403 ' HB ' ' H ' ' B' ' 5' ' ' SER . 4.7 pt -124.76 -165.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.436 -0.209 . . . . 4.2 110.436 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' B' ' 4' ' ' ILE . 0.0 OUTLIER -71.87 81.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 2.22 111.049 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -91.44 -20.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.733 -0.667 . . . . 0.92 111.32 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.14 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.602 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.57 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.556 HD13 HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.61 109.831 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.49 111.138 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.04 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.32 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.34 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.444 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.28 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 20' ' ' PHE . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.28 111.569 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.35 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.44 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.663 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.35 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.992 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.05 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.34 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.663 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 0.85 111.513 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 1.89 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 5.98 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.86 109.807 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 0.89 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.25 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.5 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 0.94 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.59 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.42 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.49 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.48 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.03 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.7 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.48 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 1.61 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.04 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.41 109.557 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.39 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p -95.19 166.34 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.35 111.516 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.5 163.89 30.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.679 -0.692 . . . . 2.83 109.494 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.52 48.68 21.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.05 0.844 . . . . 5.06 111.291 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.057 -0.973 . . . . 6.25 110.075 179.758 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.894 0.378 . . . . 10.04 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.13 153.78 18.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.801 -0.714 . . . . 6.32 112.043 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.59 26.06 63.95 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.578 . . . . 4.68 112.281 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.8 mt -123.44 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.132 0.492 . . . . 4.39 110.344 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -104.47 -158.44 0.66 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.859 -0.61 . . . . 2.02 109.917 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.38 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 0.96 109.888 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.602 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 0.92 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.5 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.02 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.52 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.99 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 0.61 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.49 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.34 112.353 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.42 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.51 112.653 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.992 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.37 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.4 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.47 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.12 111.71 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.33 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.36 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.66 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.69 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 0.78 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 1.52 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.52 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 0.95 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.28 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.38 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.43 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.41 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.68 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.34 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.48 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.48 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.15 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.01 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' ' OE2' ' A' ' 47' ' ' GLU . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.2 110.238 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -170.97 105.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.63 110.88 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.27 81.95 0.12 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.354 0.597 . . . . 4.04 111.649 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 44' ' ' SER . 14.5 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 4.3 110.332 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ptt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.006 -0.368 . . . . 8.01 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.2 -157.36 14.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.608 -0.806 . . . . 6.08 111.822 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.86 -50.04 0.11 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.925 -0.655 . . . . 4.8 111.62 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.82 25.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.362 . . . . 4.2 111.485 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -66.88 100.15 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 2.22 110.886 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.48 -25.66 35.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.971 -0.559 . . . . 0.92 111.72 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.14 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.532 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.57 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.623 HD13 HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.61 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.49 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.04 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.895 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.32 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.34 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.36 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.28 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.669 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.28 111.888 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.35 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.44 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.35 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.966 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.05 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.34 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 0.85 112.552 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 1.89 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.671 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 5.98 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.428 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.86 113.063 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 0.89 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.687 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.25 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.5 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 0.94 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.59 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.558 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.42 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.49 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.48 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.03 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.7 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.48 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 1.61 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.04 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.41 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.39 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p -118.95 141.0 49.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.35 111.126 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.02 141.05 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.947 -0.57 . . . . 2.83 109.468 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 74.2 -47.3 0.64 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.084 0.865 . . . . 5.06 111.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.421 -0.8 . . . . 6.25 110.72 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.558 0.218 . . . . 10.04 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.45 -34.04 46.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 6.32 112.641 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.08 103.77 1.53 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.817 -0.706 . . . . 4.68 112.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -86.29 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.531 0.681 . . . . 4.39 110.362 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -85.13 -175.23 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 2.02 110.817 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.1 -26.85 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.96 110.753 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.92 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.5 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.02 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.52 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 0.99 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 0.61 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.49 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 HG22 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.34 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.42 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.51 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.966 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.37 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.4 110.927 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.47 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.12 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.33 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.36 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.66 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.69 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 0.78 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 28' ' ' ILE . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 1.52 111.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.52 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 0.95 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.38 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.43 110.533 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.41 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.94 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.68 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.34 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.48 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.48 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.15 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.01 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.2 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.15 41.55 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.63 110.235 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.97 52.33 3.39 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.263 -0.881 . . . . 4.04 110.343 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.251 1.151 0 CA-C-N 115.127 -0.942 . . . . 4.3 110.806 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.107 -0.331 . . . . 8.01 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.89 81.89 1.24 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.74 -0.743 . . . . 6.08 111.454 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.71 35.41 0.69 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.65 . . . . 4.8 111.628 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -96.96 110.52 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 4.2 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -139.38 152.26 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 2.22 110.398 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.09 -25.81 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.92 110.825 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.14 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.57 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' B' ' 9' ' ' LEU . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.61 109.987 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.04 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.761 HG22 HG21 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.32 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.34 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.36 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.28 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.28 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.35 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.44 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.35 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.978 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.05 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.34 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 0.85 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 1.89 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.611 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 5.98 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.501 HD12 ' H ' ' B' ' 25' ' ' LEU . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.86 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 0.89 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.9 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.25 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.5 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 0.94 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.59 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.464 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.42 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.49 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.48 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.464 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.03 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.7 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.48 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 1.61 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.41 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.39 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -108.57 116.61 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.35 111.182 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 59.16 56.1 4.05 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.85 0.719 . . . . 2.83 110.986 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.39 72.06 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 5.06 111.41 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.018 -0.992 . . . . 6.25 109.791 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.75 -0.463 . . . . 10.04 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.26 72.66 2.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.647 -0.787 . . . . 6.32 112.914 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.94 100.72 0.76 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.518 -0.849 . . . . 4.68 112.433 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 pt -77.22 93.7 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.501 0.667 . . . . 4.39 110.726 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -113.43 120.19 40.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.873 -0.603 . . . . 2.02 110.31 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -53.69 -36.11 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.408 0.442 . . . . 0.96 111.945 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.92 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.5 111.537 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.02 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.52 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.99 110.454 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.61 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.49 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.761 HG21 HG22 ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.34 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.42 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.51 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.978 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.37 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.4 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 0.47 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.12 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.33 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.36 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.66 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.9 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.69 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 0.78 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 1.52 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.52 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 0.95 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.28 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.38 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.43 110.744 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.41 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.94 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.68 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.34 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.48 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.48 111.116 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.15 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.01 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.581 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.2 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -147.79 64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.63 111.148 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 59.62 81.76 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.418 -0.81 . . . . 4.04 112.632 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.42 -0.8 . . . . 4.3 109.838 179.129 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.774 0.321 . . . . 8.01 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.56 93.07 1.23 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.81 -0.709 . . . . 6.08 112.71 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.43 38.9 93.91 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.282 -0.485 . . . . 4.8 112.537 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 5' ' ' SER . 53.2 mt -118.82 110.3 29.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 4.2 110.96 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -128.16 167.85 16.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.562 . . . . 2.22 109.901 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.4 -20.43 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.92 109.704 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.14 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.57 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.61 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.49 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.04 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.898 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.32 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.34 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.36 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.28 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.705 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.28 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' B' ' 25' ' ' LEU . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.35 111.42 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.44 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.35 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.05 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.34 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 0.85 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 1.89 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.434 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 5.98 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.59 HD12 ' H ' ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.86 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 0.89 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.878 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.25 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.5 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 0.94 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.59 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.42 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.49 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.48 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.03 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.7 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.426 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.48 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 1.61 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.04 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.41 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.39 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -86.7 35.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.35 111.555 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 72.21 -73.28 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.715 -0.675 . . . . 2.83 110.677 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.71 128.3 1.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.131 -0.322 . . . . 5.06 110.131 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.994 -1.003 . . . . 6.25 109.752 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.032 0.444 . . . . 10.04 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.9 154.93 25.65 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.958 -0.639 . . . . 6.32 111.904 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.92 30.96 21.92 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.259 -0.736 . . . . 4.68 111.259 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pt -102.31 91.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.923 0.392 . . . . 4.39 111.529 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.474 ' HB3' HD11 ' B' ' 4' ' ' ILE . 1.3 m -114.03 165.53 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.793 -0.447 . . . . 2.02 109.793 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 9' ' ' LEU . 32.8 mm -50.79 -36.39 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 0.96 112.113 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.92 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.5 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.02 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.609 HD12 HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.52 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.99 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.61 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.49 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.898 HG21 HG22 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.34 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.42 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.51 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.37 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.4 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.47 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.12 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.33 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.36 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.66 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.878 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.69 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 0.78 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 1.52 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.52 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.95 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.28 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.38 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.43 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.41 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 0.94 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.68 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.34 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.48 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.48 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.15 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.01 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.2 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.55 47.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.63 111.725 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 52.23 37.15 21.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.052 -0.522 . . . . 4.04 111.455 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.622 -0.704 . . . . 4.3 110.322 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.506 ' SD ' ' HB ' ' B' ' 4' ' ' ILE . 17.5 mmt . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.841 0.353 . . . . 8.01 110.661 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.43 67.69 0.38 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.655 -0.783 . . . . 6.08 111.919 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.83 30.46 10.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 4.8 111.659 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' A' ' 6' ' ' ILE . 40.9 mm -106.75 101.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.916 0.389 . . . . 4.2 110.747 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -77.26 131.97 38.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 2.22 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.21 -25.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.28 0.562 . . . . 0.92 109.739 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.14 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.57 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.61 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.49 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.04 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.32 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.34 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.408 HG23 HD22 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.36 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.433 ' HA ' HD21 ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.28 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.28 111.005 179.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.35 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.44 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.35 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.994 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.05 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.34 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.664 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 0.85 111.634 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 1.89 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 5.98 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' B' ' 22' ' ' THR . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.86 109.391 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 0.89 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.25 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 0.94 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.59 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.42 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.49 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.48 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.03 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.7 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.48 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 1.61 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.04 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.41 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.39 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p -128.83 147.66 50.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.35 111.356 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -148.94 173.49 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.748 -0.66 . . . . 2.83 109.349 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.53 46.65 5.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.611 0.72 . . . . 5.06 110.236 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.92 -1.038 . . . . 6.25 109.558 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.92 0.391 . . . . 10.04 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.92 -31.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.814 -0.63 . . . . 6.32 112.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.25 -94.2 1.61 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.709 -0.757 . . . . 4.68 112.044 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -152.95 124.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 4.39 110.575 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -148.09 179.64 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.068 -0.514 . . . . 2.02 110.661 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.511 ' HB ' HG21 ' B' ' 4' ' ' ILE . 37.1 mm -58.99 -31.31 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 0.96 111.331 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.92 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.5 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.02 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.501 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.52 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.99 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 0.61 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.49 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.34 112.161 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 ' HA ' HD21 ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.42 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.51 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.994 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.37 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.4 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.47 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.12 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65 113.467 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.33 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.36 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 17' ' ' VAL . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.66 112.032 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.69 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 0.78 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 1.52 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.52 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 0.95 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.28 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.38 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.43 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.41 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 0.94 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.68 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.34 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.48 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.48 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.15 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.01 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.2 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -152.24 138.75 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.63 111.299 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t0 65.64 8.69 5.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.325 -0.852 . . . . 4.04 112.082 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.13 -0.938 . . . . 4.3 109.513 179.059 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.119 0.485 . . . . 0.92000000000000004 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.1399999999999999 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.5700000000000001 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.60999999999999999 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.48999999999999999 111.246 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.04 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.876 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.32000000000000001 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.34000000000000002 110.66 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.35999999999999999 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.28000000000000003 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.702 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.28000000000000003 111.548 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.44 ' HA ' HD11 ' B' ' 25' ' ' LEU . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.34999999999999998 111.735 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.44 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.34999999999999998 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.982 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.05 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.34000000000000002 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 0.84999999999999998 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 1.8899999999999999 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.477 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 5.9800000000000004 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.517 ' H ' HD12 ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.85999999999999999 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 0.89000000000000001 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.25 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.5 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 0.93999999999999995 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.58999999999999997 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.41999999999999998 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.48999999999999999 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.47999999999999998 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.03 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.69999999999999996 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51000000000000001 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.48 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.6100000000000001 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.04 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.40999999999999998 110.153 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.3899999999999999 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.3500000000000001 110.847 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.565 0.222 . . . . 0.95999999999999996 111.277 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.92000000000000004 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.02 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.52000000000000002 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 0.98999999999999999 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 0.60999999999999999 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.48999999999999999 110.438 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.876 HG21 HG22 ' B' ' 12' ' ' ILE . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.34000000000000002 112.743 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.41999999999999998 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.51000000000000001 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.982 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.37 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.40000000000000002 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.46999999999999997 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.1200000000000001 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65000000000000002 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.3300000000000001 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.622 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.3600000000000001 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 17' ' ' VAL . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.66000000000000003 111.044 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.68999999999999995 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 0.78000000000000003 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 1.52 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.52000000000000002 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 0.94999999999999996 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.28 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.38 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.42999999999999999 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.40999999999999998 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 0.93999999999999995 110.649 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.68000000000000005 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.34000000000000002 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.48 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.48 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.1499999999999999 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.01 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.2 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.6299999999999999 109.916 -179.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.723 0.297 . . . . 0.92000000000000004 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.1399999999999999 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.403 ' O ' HG13 ' B' ' 12' ' ' ILE . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.5700000000000001 110.749 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.60999999999999999 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.48999999999999999 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.04 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.878 HG22 HG21 ' A' ' 14' ' ' VAL . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.32000000000000001 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.34000000000000002 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.28000000000000003 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.28000000000000003 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.34999999999999998 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.44 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.34999999999999998 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.05 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.34000000000000002 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 0.84999999999999998 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 1.8899999999999999 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 5.9800000000000004 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.85999999999999999 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 0.89000000000000001 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.25 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.5 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 0.93999999999999995 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.58999999999999997 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.57 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.41999999999999998 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.48999999999999999 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.47999999999999998 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.03 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.69999999999999996 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51000000000000001 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.48 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 1.6100000000000001 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.04 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.40999999999999998 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.3899999999999999 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.3500000000000001 112.063 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 111.878 0.325 . . . . 0.95999999999999996 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 0.92000000000000004 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.5 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.02 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.52000000000000002 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.98999999999999999 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 0.60999999999999999 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.48999999999999999 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.878 HG21 HG22 ' B' ' 12' ' ' ILE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.34000000000000002 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.41999999999999998 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.51000000000000001 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.37 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.40000000000000002 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 0.46999999999999997 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.1200000000000001 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65000000000000002 114.057 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.535 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.3300000000000001 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.3600000000000001 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.66000000000000003 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.68999999999999995 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 0.78000000000000003 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 1.52 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.52000000000000002 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 0.94999999999999996 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.28 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.685 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.38 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.42999999999999999 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.40999999999999998 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.93999999999999995 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.68000000000000005 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.34000000000000002 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.48 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.48 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.1499999999999999 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.01 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.2 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.6299999999999999 109.537 179.265 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.057 0.456 . . . . 0.92000000000000004 111.62 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.1399999999999999 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.442 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.5700000000000001 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.60999999999999999 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.48999999999999999 110.821 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.04 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.907 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.32000000000000001 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.34000000000000002 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.35999999999999999 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.28000000000000003 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.28000000000000003 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.34999999999999998 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.44 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.34999999999999998 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.963 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.05 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.34000000000000002 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 0.84999999999999998 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 1.8899999999999999 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 5.9800000000000004 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.475 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.85999999999999999 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 0.89000000000000001 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.545 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.25 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.5 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.93999999999999995 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.58999999999999997 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.536 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.41999999999999998 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.48999999999999999 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.47999999999999998 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.03 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.69999999999999996 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51000000000000001 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.48 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.6100000000000001 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.505 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.04 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.40999999999999998 110.119 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.3899999999999999 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.3500000000000001 112.089 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 111.853 0.316 . . . . 0.95999999999999996 111.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.442 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.92000000000000004 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.02 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.52000000000000002 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.98999999999999999 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 0.60999999999999999 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.48999999999999999 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HG22 ' B' ' 12' ' ' ILE . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.34000000000000002 112.654 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.41999999999999998 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.51000000000000001 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.963 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.37 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.40000000000000002 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.46999999999999997 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.1200000000000001 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65000000000000002 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.538 HG22 HG12 ' A' ' 17' ' ' VAL . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.3300000000000001 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.3600000000000001 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD13 HG13 ' A' ' 17' ' ' VAL . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.66000000000000003 111.682 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.68999999999999995 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 0.78000000000000003 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 1.52 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.52000000000000002 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 0.94999999999999996 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.28 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.38 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.42999999999999999 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.40999999999999998 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.68000000000000005 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.34000000000000002 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.48 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.48 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.1499999999999999 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.01 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.2 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.6299999999999999 109.456 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 111.675 0.25 . . . . 0.92000000000000004 111.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.1399999999999999 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.5700000000000001 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.60999999999999999 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 10' ' ' LEU . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.48999999999999999 111.24 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.04 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.888 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.32000000000000001 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.34000000000000002 110.74 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.35999999999999999 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.28000000000000003 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.724 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.28000000000000003 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.34999999999999998 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.44 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.34999999999999998 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.05 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.34000000000000002 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.45 ' HA ' HD13 ' B' ' 25' ' ' LEU . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 0.84999999999999998 112.06 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 1.8899999999999999 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 28' ' ' ILE . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 5.9800000000000004 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 22' ' ' THR . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.85999999999999999 110.817 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 0.89000000000000001 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.891 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.25 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.5 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 0.93999999999999995 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.58999999999999997 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.41999999999999998 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.48999999999999999 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.47999999999999998 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.03 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.69999999999999996 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51000000000000001 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.506 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.48 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 1.6100000000000001 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.04 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.40999999999999998 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.3899999999999999 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.3500000000000001 110.665 179.826 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 120.78 0.324 . . . . 0.95999999999999996 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 0.92000000000000004 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.5 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.02 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.52000000000000002 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 0.98999999999999999 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.60999999999999999 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.48999999999999999 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.888 HG21 HG22 ' B' ' 12' ' ' ILE . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.34000000000000002 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.41999999999999998 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.51000000000000001 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.37 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.40000000000000002 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.46999999999999997 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.1200000000000001 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65000000000000002 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.603 HG22 HG12 ' A' ' 17' ' ' VAL . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.3300000000000001 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.3600000000000001 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD13 HG13 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.66000000000000003 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.891 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.68999999999999995 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 0.78000000000000003 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 1.52 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.52000000000000002 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 0.94999999999999996 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.38 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.42999999999999999 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.40999999999999998 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 0.93999999999999995 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.68000000000000005 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.34000000000000002 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.48 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HG2' ' HD1' ' B' ' 39' ' ' PHE . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.48 110.826 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.1499999999999999 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.01 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.2 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.6299999999999999 111.005 -179.5 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' B' ' 9' ' ' LEU . 38.4 mm . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.783 0.325 . . . . 0.92000000000000004 110.615 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.1399999999999999 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.5700000000000001 110.902 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.576 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.60999999999999999 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.48999999999999999 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.04 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 14' ' ' VAL . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.32000000000000001 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.34000000000000002 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.35999999999999999 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.28000000000000003 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.831 HG23 HG13 ' A' ' 14' ' ' VAL . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.28000000000000003 110.841 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.508 HG13 HG23 ' B' ' 22' ' ' THR . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.34999999999999998 111.592 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.44 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.34999999999999998 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.34000000000000002 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.508 HG23 HG13 ' B' ' 17' ' ' VAL . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 0.84999999999999998 112.424 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 1.8899999999999999 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' HG22 ' A' ' 22' ' ' THR . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 5.9800000000000004 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.85999999999999999 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 0.89000000000000001 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.25 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.5 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 0.93999999999999995 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.58999999999999997 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.537 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.41999999999999998 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.48999999999999999 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.47999999999999998 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.689 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.03 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.69999999999999996 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51000000000000001 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.689 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.48 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 1.6100000000000001 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.04 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.40999999999999998 109.662 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.3899999999999999 110.216 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.3500000000000001 110.692 179.213 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 0.95999999999999996 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 0.92000000000000004 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.5 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.02 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.52000000000000002 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 0.98999999999999999 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 0.60999999999999999 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.48999999999999999 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.831 HG13 HG23 ' B' ' 16' ' ' VAL . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.34000000000000002 112.154 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.41999999999999998 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.51000000000000001 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.37 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.40000000000000002 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 0.46999999999999997 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.1200000000000001 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65000000000000002 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.528 HG22 ' HB2' ' B' ' 24' ' ' LYS . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.3300000000000001 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.3600000000000001 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' VAL . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.66000000000000003 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.68999999999999995 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 0.78000000000000003 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 1.52 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.52000000000000002 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 0.94999999999999996 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.28 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.747 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.38 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.42999999999999999 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.40999999999999998 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 0.93999999999999995 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.68000000000000005 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.34000000000000002 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.48 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.683 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.48 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.1499999999999999 109.28 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.01 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.2 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.6299999999999999 110.053 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.633 0.254 . . . . 0.92000000000000004 111.32 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.1399999999999999 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.602 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.5700000000000001 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.556 HD13 HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.60999999999999999 109.831 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.48999999999999999 111.138 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.04 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.32000000000000001 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.34000000000000002 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.35999999999999999 110.444 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.28000000000000003 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 20' ' ' PHE . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.28000000000000003 111.569 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.34999999999999998 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.44 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.663 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.34999999999999998 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.992 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.05 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.34000000000000002 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.663 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 0.84999999999999998 111.513 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 1.8899999999999999 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 5.9800000000000004 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.85999999999999999 109.807 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 0.89000000000000001 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.25 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.5 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 0.93999999999999995 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.58999999999999997 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.41999999999999998 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.48999999999999999 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.47999999999999998 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.03 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.69999999999999996 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51000000000000001 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.48 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 1.6100000000000001 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.04 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.40999999999999998 109.557 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.3899999999999999 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.3500000000000001 111.516 -179.624 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 0.95999999999999996 109.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.602 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 0.92000000000000004 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.5 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.02 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.52000000000000002 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.98999999999999999 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 0.60999999999999999 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.48999999999999999 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.34000000000000002 112.353 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.41999999999999998 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.51000000000000001 112.653 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.992 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.37 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.40000000000000002 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.1200000000000001 111.71 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65000000000000002 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.3300000000000001 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.3600000000000001 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.66000000000000003 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.68999999999999995 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 0.78000000000000003 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 1.52 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.52000000000000002 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 0.94999999999999996 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.28 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.38 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.42999999999999999 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.40999999999999998 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 0.93999999999999995 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.68000000000000005 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.34000000000000002 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.48 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.48 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.1499999999999999 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.01 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.2 110.238 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.6299999999999999 110.88 -179.223 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.72 0.267 . . . . 0.92000000000000004 111.72 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.1399999999999999 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.532 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.5700000000000001 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.623 HD13 HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.60999999999999999 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.04 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.895 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.32000000000000001 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.34000000000000002 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.35999999999999999 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.28000000000000003 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.669 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.28000000000000003 111.888 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.34999999999999998 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.44 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.34999999999999998 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.966 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.05 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.34000000000000002 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 0.84999999999999998 112.552 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 1.8899999999999999 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.671 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 5.9800000000000004 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.85999999999999999 113.063 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 0.89000000000000001 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.687 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.25 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.5 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 0.93999999999999995 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.58999999999999997 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.558 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.41999999999999998 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.48999999999999999 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.47999999999999998 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.03 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.69999999999999996 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51000000000000001 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.48 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 1.6100000000000001 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.04 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.40999999999999998 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.3899999999999999 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.3500000000000001 111.126 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.95999999999999996 110.753 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.92000000000000004 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.5 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.02 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.623 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.52000000000000002 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 0.98999999999999999 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 0.60999999999999999 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.48999999999999999 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 HG22 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.34000000000000002 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.41999999999999998 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.51000000000000001 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.966 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.37 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.40000000000000002 110.927 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.46999999999999997 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.1200000000000001 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65000000000000002 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.3300000000000001 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.3600000000000001 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.66000000000000003 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.68999999999999995 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 0.78000000000000003 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 28' ' ' ILE . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 1.52 111.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.52000000000000002 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 0.94999999999999996 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.38 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.42999999999999999 110.533 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.40999999999999998 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.93999999999999995 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.68000000000000005 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.34000000000000002 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.48 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.48 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.1499999999999999 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.01 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.2 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.6299999999999999 110.235 179.351 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 120.912 0.387 . . . . 0.92000000000000004 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.5700000000000001 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' B' ' 9' ' ' LEU . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.60999999999999999 109.987 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.48999999999999999 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.04 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.761 HG22 HG21 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.32000000000000001 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.34000000000000002 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.35999999999999999 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.28000000000000003 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.28000000000000003 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.34999999999999998 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.44 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.34999999999999998 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.978 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.05 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.34000000000000002 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 0.84999999999999998 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 1.8899999999999999 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.611 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 5.9800000000000004 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.501 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.85999999999999999 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 0.89000000000000001 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.9 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.25 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.5 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 0.93999999999999995 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.58999999999999997 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.464 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.41999999999999998 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.48999999999999999 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.47999999999999998 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.464 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.03 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.69999999999999996 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51000000000000001 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.48 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 1.6100000000000001 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.40999999999999998 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.3899999999999999 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.3500000000000001 111.182 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.945 0.35 . . . . 0.95999999999999996 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.92000000000000004 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.5 111.537 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.02 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.52000000000000002 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.98999999999999999 110.454 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.60999999999999999 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.48999999999999999 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.761 HG21 HG22 ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.34000000000000002 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.41999999999999998 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.51000000000000001 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.978 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.37 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.40000000000000002 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 0.46999999999999997 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.1200000000000001 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65000000000000002 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.402 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.3300000000000001 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.3600000000000001 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.66000000000000003 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.9 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.68999999999999995 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 0.78000000000000003 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 1.52 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.52000000000000002 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 0.94999999999999996 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.28 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.38 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.42999999999999999 110.744 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.40999999999999998 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.93999999999999995 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.68000000000000005 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.34000000000000002 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.48 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.48 111.116 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.1499999999999999 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.01 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.581 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.2 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.6299999999999999 111.148 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 121.421 0.629 . . . . 0.92000000000000004 109.704 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.1399999999999999 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.5700000000000001 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.60999999999999999 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.48999999999999999 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.04 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.898 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.32000000000000001 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.34000000000000002 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.35999999999999999 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.28000000000000003 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.705 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.28000000000000003 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' B' ' 25' ' ' LEU . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.34999999999999998 111.42 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.44 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.34999999999999998 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.05 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.34000000000000002 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 0.84999999999999998 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 1.8899999999999999 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.434 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 5.9800000000000004 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.59 ' H ' HD12 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.85999999999999999 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 0.89000000000000001 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.878 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.25 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.5 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 0.93999999999999995 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.41999999999999998 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.48999999999999999 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.47999999999999998 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.03 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.69999999999999996 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51000000000000001 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.426 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.48 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 1.6100000000000001 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.04 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.40999999999999998 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.3899999999999999 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.3500000000000001 111.555 -178.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 9' ' ' LEU . 32.8 mm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 0.95999999999999996 112.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.92000000000000004 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.5 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.02 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.609 HD12 HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.52000000000000002 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.98999999999999999 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.60999999999999999 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.48999999999999999 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.898 HG21 HG22 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.34000000000000002 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.41999999999999998 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.51000000000000001 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.37 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.40000000000000002 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.46999999999999997 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.1200000000000001 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65000000000000002 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.3300000000000001 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.3600000000000001 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.66000000000000003 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.878 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.68999999999999995 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 0.78000000000000003 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 1.52 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.52000000000000002 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.94999999999999996 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.28 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.38 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.42999999999999999 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.40999999999999998 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 0.93999999999999995 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.68000000000000005 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.34000000000000002 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.48 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.48 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.1499999999999999 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.01 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.2 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.6299999999999999 111.725 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.28 0.562 . . . . 0.92000000000000004 109.739 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.1399999999999999 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.5700000000000001 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.60999999999999999 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.48999999999999999 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.04 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.32000000000000001 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.34000000000000002 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.408 HG23 HD22 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.35999999999999999 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.433 ' HA ' HD21 ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.28000000000000003 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.28000000000000003 111.005 179.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.34999999999999998 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.44 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.34999999999999998 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.994 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.05 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.34000000000000002 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.664 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 0.84999999999999998 111.634 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 1.8899999999999999 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 5.9800000000000004 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' B' ' 22' ' ' THR . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.85999999999999999 109.391 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 0.89000000000000001 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.25 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 0.93999999999999995 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.58999999999999997 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.41999999999999998 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.48999999999999999 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.47999999999999998 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.03 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.69999999999999996 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51000000000000001 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.48 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 1.6100000000000001 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.04 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.40999999999999998 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.3899999999999999 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.3500000000000001 111.356 -179.702 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 0.95999999999999996 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.92000000000000004 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.5 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.02 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.501 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.52000000000000002 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.98999999999999999 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 0.60999999999999999 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.48999999999999999 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.34000000000000002 112.161 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 ' HA ' HD21 ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.41999999999999998 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.51000000000000001 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.994 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.37 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.40000000000000002 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.46999999999999997 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.1200000000000001 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65000000000000002 113.467 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.3300000000000001 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.3600000000000001 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 17' ' ' VAL . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.66000000000000003 112.032 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.68999999999999995 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 0.78000000000000003 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 1.52 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.52000000000000002 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 0.94999999999999996 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.28 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.38 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.42999999999999999 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.40999999999999998 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 0.93999999999999995 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.68000000000000005 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.34000000000000002 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.48 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.48 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.1499999999999999 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.01 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.2 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 . . . . . 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.6299999999999999 111.299 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.238 -0.282 . . . . 8.0099999999999998 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.59 101.3 0.16 Allowed Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.296 -0.954 . . . . 6.0800000000000001 112.296 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.04 8.43 86.57 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.986 -0.626 . . . . 4.7999999999999998 113.129 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -87.98 116.39 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 117.044 0.422 . . . . 4.2000000000000002 110.443 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -145.19 -175.44 4.7 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.196 -0.456 . . . . 2.2200000000000002 110.121 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -68.86 -19.1 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.119 0.485 . . . . 0.92000000000000004 110.368 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.403 -0.817 . . . . 1.1399999999999999 112.773 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -63.11 -38.07 89.72 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.189 0.519 . . . . 1.5700000000000001 111.244 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.508 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.9 -38.3 81.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.425 -0.807 . . . . 0.60999999999999999 111.184 -179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' B' ' 10' ' ' LEU . 1.2 mt -67.13 -46.24 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.48999999999999999 111.246 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -54.42 -52.59 38.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.641 0.608 . . . . 1.04 112.641 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.876 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -71.0 -39.69 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.701 0.26 . . . . 0.32000000000000001 111.701 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -66.05 -36.82 84.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.688 0.28 . . . . 0.34000000000000002 110.66 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.6 -44.5 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.448 -0.342 . . . . 0.35999999999999999 110.762 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.23 -34.32 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.28000000000000003 109.564 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.702 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -58.88 -37.57 67.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.338 -0.847 . . . . 0.28000000000000003 111.548 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.44 ' HA ' HD11 ' B' ' 25' ' ' LEU . 13.8 t -56.13 -52.08 54.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.735 0.272 . . . . 0.34999999999999998 111.735 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -27.74 55.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.697 -0.229 . . . . 0.44 111.107 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -55.94 -37.49 69.06 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.169 -0.468 . . . . 0.34999999999999998 111.243 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.982 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.2 m-85 -113.59 19.42 16.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.26 -0.427 . . . . 1.05 111.527 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.65 30.14 50.56 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.715 -0.675 . . . . 0.34000000000000002 114.216 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m 64.12 6.35 2.87 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.154 0.428 . . . . 0.84999999999999998 112.154 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -66.75 -42.97 85.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.285 0.564 . . . . 1.8899999999999999 110.672 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.477 ' O ' HG22 ' B' ' 28' ' ' ILE . 1.2 tmmt? -64.98 -54.06 36.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.518 -0.765 . . . . 5.9800000000000004 110.904 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.517 ' H ' HD12 ' B' ' 25' ' ' LEU . 2.1 mp -63.87 -21.7 66.57 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.094 -0.957 . . . . 0.85999999999999999 112.123 -177.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.74 -23.66 55.32 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.534 -0.841 . . . . 0.87 112.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.64 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.823 0.312 . . . . 0.89000000000000001 111.752 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' ' 24' ' ' LYS . 1.5 tt -70.27 -37.05 69.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 121.086 0.47 . . . . 1.25 110.85 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.07 -41.47 99.47 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.5 112.715 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.2 t -65.73 -43.42 89.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.783 0.325 . . . . 0.93999999999999995 110.878 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.27 -46.91 75.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 1.48 110.979 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -69.98 -26.28 64.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.651 -0.42 . . . . 0.58999999999999997 110.446 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.63 96.29 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.037 -1.225 . . . . 0.41999999999999998 110.037 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.1 -30.76 69.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.689 0.757 . . . . 0.48999999999999999 109.44 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 46.3 m -73.82 -28.37 61.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.222 -0.899 . . . . 0.47999999999999998 110.522 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.93 -35.51 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.421 -0.354 . . . . 1.03 111.272 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.2 pttt -76.98 -23.12 52.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.016 0.436 . . . . 0.69999999999999996 110.104 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.41 -40.13 10.33 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.886 -0.597 . . . . 0.51000000000000001 112.002 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -38.5 84.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.883 0.373 . . . . 1.48 110.543 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -79.35 -14.07 59.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.6100000000000001 110.701 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 14.7 tptp -72.82 -19.26 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 1.04 110.825 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.423 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -86.19 -35.98 19.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 0.40999999999999998 110.153 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 83.67 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 1.3899999999999999 110.689 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.97 158.7 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.073 -0.512 . . . . 1.3500000000000001 110.847 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -127.64 174.78 8.79 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.108 -0.496 . . . . 2.8300000000000001 110.19 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 68.74 85.09 0.14 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.49 0.716 . . . . 5.0599999999999996 110.647 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.117 -0.944 . . . . 6.25 110.056 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.81 0.338 . . . . 10.039999999999999 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.85 -70.47 0.31 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.922 -0.656 . . . . 6.3200000000000003 112.167 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.78 -165.56 22.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 4.6799999999999997 112.023 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.08 34.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.115 0.483 . . . . 4.3899999999999997 110.748 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.31 145.29 26.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 2.02 110.328 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -60.32 -34.89 59.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.306 -0.406 . . . . 0.95999999999999996 111.277 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -62.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.92000000000000004 111.43 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.7 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.094 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.5 -37.22 80.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.123 -0.49 . . . . 1.02 111.151 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -66.22 -46.27 77.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.52000000000000002 111.105 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mp -56.71 -46.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.69 -0.232 . . . . 0.98999999999999999 110.827 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -66.42 -38.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.137 -0.32 . . . . 0.60999999999999999 110.137 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.87 -51.45 69.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.824 0.821 . . . . 0.48999999999999999 110.438 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.876 HG21 HG22 ' B' ' 12' ' ' ILE . 24.9 t -55.88 -38.53 52.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 113.741 -1.572 . . . . 0.34000000000000002 112.743 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 40.7 mt -79.78 -35.39 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.41999999999999998 111.448 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -33.29 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.51000000000000001 112.376 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.982 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -63.61 -43.11 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.408 0.892 . . . . 0.37 113.408 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.55 -25.9 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.351 -0.54 . . . . 0.40000000000000002 110.428 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 12.9 mt -63.38 -36.57 84.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.46999999999999997 111.794 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -106.74 13.16 28.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.526 -0.306 . . . . 1.1200000000000001 111.692 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.79 37.77 43.96 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.31 -0.471 . . . . 0.65000000000000002 113.746 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 15.5 p 62.89 -0.28 0.6 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.526 0.936 . . . . 1.46 113.526 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -64.09 -45.22 89.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.123 0.416 . . . . 1.3300000000000001 112.123 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.622 ' O ' HG22 ' A' ' 28' ' ' ILE . 32.3 mmmt -65.79 -51.93 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.432 0.53 . . . . 1.3600000000000001 112.432 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' HG13 ' A' ' 17' ' ' VAL . 2.6 mp -56.28 -46.77 79.6 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.869 0.366 . . . . 0.66000000000000003 111.044 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.8 -33.15 59.57 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.68999999999999995 113.692 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -98.5 -71.96 0.67 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.844 1.053 . . . . 0.78000000000000003 113.844 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 24' ' ' LYS . 5.2 tt -62.39 -33.72 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.654 0.264 . . . . 1.52 111.06 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.36 96.7 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.539 -0.839 . . . . 0.52000000000000002 111.757 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -60.63 -49.29 78.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.817 0.341 . . . . 0.94999999999999996 110.725 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.91 -40.91 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 1.29 110.486 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -31.66 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 1.28 110.343 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.474 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -66.16 -47.63 71.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.445 -0.798 . . . . 0.38 111.967 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.97 -13.6 62.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.203 0.525 . . . . 0.42999999999999999 110.656 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.1 m -87.24 -23.1 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.54 -0.541 . . . . 0.40999999999999998 109.54 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 tp -70.42 -33.03 52.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.692 -0.685 . . . . 0.93999999999999995 110.649 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 37.2 pttt -78.33 -19.75 52.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 0.68000000000000005 110.301 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.57 -37.46 6.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.055 -0.593 . . . . 0.34000000000000002 112.326 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -37.49 79.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 1.48 111.214 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -88.76 -5.3 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 1.48 110.319 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 15.5 tptp -74.78 -17.44 60.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.024 0.44 . . . . 1.1499999999999999 110.257 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.02 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.75 111.323 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.1 ptm -90.25 68.19 6.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 1.01 111.067 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 p -115.94 105.62 12.87 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.635 -0.712 . . . . 1.2 110.311 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -122.07 13.47 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.093 0.473 . . . . 1.6299999999999999 109.916 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.89 54.05 0.48 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.293 -0.867 . . . . 4.04 110.286 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 115.354 -0.839 . . . . 4.2999999999999998 110.945 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.114 -0.328 . . . . 8.0099999999999998 110.114 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.91 77.17 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.463 -0.875 . . . . 6.0800000000000001 111.456 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.97 43.4 99.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.286 -0.483 . . . . 4.7999999999999998 112.373 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 31.7 pt -110.64 135.87 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.082 0.467 . . . . 4.2000000000000002 111.563 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -124.68 135.0 52.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.823 -0.626 . . . . 2.2200000000000002 109.417 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.36 -22.67 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.033 -0.531 . . . . 0.92000000000000004 111.152 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -66.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 1.1399999999999999 111.463 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.403 ' O ' HG13 ' B' ' 12' ' ' ILE . 2.1 mp0 -67.48 -27.28 66.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.523 -0.308 . . . . 1.5700000000000001 110.749 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -58.7 -42.46 88.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.60999999999999999 109.628 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -44.37 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.48999999999999999 110.619 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.29 -50.36 47.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.789 -0.642 . . . . 1.04 112.54 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.878 HG22 HG21 ' A' ' 14' ' ' VAL . 1.9 mt -73.16 -41.89 58.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.749 0.278 . . . . 0.32000000000000001 111.749 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.97 84.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.606 0.241 . . . . 0.34000000000000002 110.844 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.69 -46.32 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.25 -0.432 . . . . 0.35999999999999999 110.923 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' B' ' 19' ' ' LEU . 77.5 mt -60.38 -34.61 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.499 . . . . 0.28000000000000003 110.21 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 1.9 t -60.35 -36.63 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.28000000000000003 111.699 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -57.36 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.612 0.244 . . . . 0.34999999999999998 111.231 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -22.65 40.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.661 0.267 . . . . 0.44 111.16 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.66 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.39 -40.47 94.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.34999999999999998 110.747 179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -113.43 10.84 18.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.036 -0.529 . . . . 1.05 111.445 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.82 23.46 45.07 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.917 -0.583 . . . . 0.34000000000000002 113.496 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m 57.84 27.72 14.98 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.203 0.525 . . . . 0.84999999999999998 110.956 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -83.19 5.5 22.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.918 -0.583 . . . . 1.8899999999999999 112.385 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' HG12 ' B' ' 28' ' ' ILE . 1.2 tpmt? -146.47 -25.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.823 -0.351 . . . . 5.9800000000000004 111.167 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.34 -15.91 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.85999999999999999 111.059 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.89 -57.06 3.87 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.935 -0.65 . . . . 0.87 112.107 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 2.1 m -64.29 -51.82 61.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.924 0.342 . . . . 0.89000000000000001 111.924 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 24' ' ' LYS . 10.4 pt -69.58 -31.96 50.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.043 0.449 . . . . 1.25 110.718 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.93 -39.66 46.02 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.926 -0.579 . . . . 0.5 112.537 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.9 t -69.58 -42.64 74.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.819 0.342 . . . . 0.93999999999999995 110.273 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.59 -55.34 28.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.156 0.503 . . . . 1.48 110.254 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -68.89 -18.88 64.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.58999999999999997 110.854 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.57 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -72.9 -42.28 45.87 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.913 -1.275 . . . . 0.41999999999999998 109.913 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.594 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.57 -29.99 68.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.868 0.842 . . . . 0.48999999999999999 108.99 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -72.98 -35.55 66.9 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.691 -1.141 . . . . 0.47999999999999998 110.928 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.0 tp -72.85 -32.1 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.587 0.217 . . . . 1.03 111.587 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.594 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 62.2 pttt -69.55 -32.34 71.08 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.85 -0.34 . . . . 0.69999999999999996 110.4 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -33.4 35.61 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.815 -0.707 . . . . 0.51000000000000001 111.379 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -43.91 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.948 -0.39 . . . . 1.48 109.948 179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -80.04 -19.09 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 1.6100000000000001 111.064 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.42 -29.05 65.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.044 0.45 . . . . 1.04 110.662 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -86.67 2.16 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.974 -0.557 . . . . 0.40999999999999998 110.034 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 77.1 mtp -143.06 62.47 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 1.3899999999999999 110.585 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.91 95.74 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 1.3500000000000001 112.063 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -103.92 -8.24 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.353 0.597 . . . . 2.8300000000000001 109.52 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.69 77.18 0.26 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.609 -1.178 . . . . 5.0599999999999996 111.682 178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.96 -1.019 . . . . 6.25 109.72 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.874 0.368 . . . . 10.039999999999999 110.054 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.89 -141.79 12.56 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 111.249 -0.74 . . . . 6.3200000000000003 111.249 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.37 -161.29 29.45 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.202 -0.999 . . . . 4.6799999999999997 112.731 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 26.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.193 0.521 . . . . 4.3899999999999997 110.606 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.63 86.77 2.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.441 -0.8 . . . . 2.02 110.818 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.66 -24.64 36.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.872 -0.604 . . . . 0.95999999999999996 111.878 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -64.18 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.218 . . . . 0.92000000000000004 111.165 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 12' ' ' ILE . 1.3 mp0 -66.58 -31.5 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.636 -0.256 . . . . 1.5 110.648 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -40.55 82.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.03 0.443 . . . . 1.02 109.894 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -64.38 -44.8 90.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.74 -0.664 . . . . 0.52000000000000002 110.042 178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -54.1 -46.71 66.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.552 -0.295 . . . . 0.98999999999999999 110.792 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 8' ' ' GLN . 16.0 mt -67.69 -38.83 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.724 0.297 . . . . 0.60999999999999999 110.277 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.54 -50.88 72.18 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.731 0.777 . . . . 0.48999999999999999 110.232 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.878 HG21 HG22 ' B' ' 12' ' ' ILE . 45.4 t -53.88 -38.98 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 113.823 -1.535 . . . . 0.34000000000000002 112.718 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 22.5 mt -82.25 -35.2 12.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.286 0.476 . . . . 0.41999999999999998 112.286 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -57.64 -35.66 51.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.714 0.635 . . . . 0.51000000000000001 112.714 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.3 t -62.6 -40.94 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 113.185 0.809 . . . . 0.37 113.185 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -81.76 -26.23 34.66 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.257 -0.577 . . . . 0.40000000000000002 110.694 179.553 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.2 mt -60.8 -37.66 82.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.151 -0.477 . . . . 0.46999999999999997 111.222 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -107.26 14.44 26.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 1.1200000000000001 111.71 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.55 53.48 28.65 Favored Glycine 0 C--N 1.332 0.334 0 O-C-N 123.445 0.466 . . . . 0.65000000000000002 114.057 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.535 ' CG2' ' HB3' ' B' ' 20' ' ' PHE . 7.2 p 48.0 60.34 3.64 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.741 0.645 . . . . 1.46 112.741 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -126.13 -67.52 0.87 Allowed 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.558 -0.457 . . . . 1.3300000000000001 111.967 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 28' ' ' ILE . 25.7 mmmt -48.25 -56.36 8.19 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.136 0.791 . . . . 1.3600000000000001 113.136 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.635 HD13 HG13 ' A' ' 17' ' ' VAL . 4.7 mp -50.14 -32.22 15.5 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.722 0.638 . . . . 0.66000000000000003 112.722 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.84 -64.04 4.26 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 114.588 0.595 . . . . 0.68999999999999995 114.588 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 m -86.5 -38.95 16.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.859 0.688 . . . . 0.78000000000000003 112.859 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.8 pt -67.14 -25.53 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.455 -0.498 . . . . 1.52 110.672 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.0 -50.81 6.59 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.575 -0.821 . . . . 0.52000000000000002 111.193 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -62.31 -45.37 93.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.623 0.231 . . . . 0.94999999999999996 111.623 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -57.88 -41.84 83.37 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.242 0.544 . . . . 1.29 110.413 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.06 -23.65 47.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 1.28 111.121 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.685 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -68.56 -55.78 11.24 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.658 -0.701 . . . . 0.38 111.564 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -64.94 -16.17 62.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.111 0.481 . . . . 0.42999999999999999 111.093 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.4 m -84.17 -32.01 24.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.40999999999999998 109.842 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 33' ' ' GLY . 5.2 tp -71.63 -30.1 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.256 -0.429 . . . . 0.93999999999999995 111.025 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 64.8 pttt -71.99 -37.6 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.662 0.267 . . . . 0.68000000000000005 110.579 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.02 57.97 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.708 -0.758 . . . . 0.34000000000000002 111.795 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -44.35 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.224 . . . . 1.48 111.308 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -88.71 -18.46 27.81 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.049 -0.26 . . . . 1.48 111.545 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 62.6 tttp -61.21 -37.1 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.11 0.481 . . . . 1.1499999999999999 110.278 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.07 -3.39 59.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.856 -0.611 . . . . 0.75 111.413 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 70.6 mtp -107.44 49.47 0.8 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.624 0.726 . . . . 1.01 109.719 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.1 OUTLIER -80.12 80.24 6.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.028 -0.987 . . . . 1.2 110.804 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.41 -5.3 40.09 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.537 -0.542 . . . . 1.6299999999999999 109.537 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 62.86 51.61 2.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.988 -1.005 . . . . 4.04 111.101 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.461 -0.78 . . . . 4.2999999999999998 110.378 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.914 -0.402 . . . . 8.0099999999999998 109.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.56 72.56 2.52 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.701 -0.762 . . . . 6.0800000000000001 112.304 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.05 75.72 2.13 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.006 -0.616 . . . . 4.7999999999999998 112.637 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 18.5 mt -79.33 97.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.943 0.401 . . . . 4.2000000000000002 110.846 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -131.96 76.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.81 -0.441 . . . . 2.2200000000000002 109.81 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mm -54.41 -36.72 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.382 -0.826 . . . . 0.92000000000000004 111.62 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -60.7 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.745 . . . . 1.1399999999999999 111.552 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.442 ' NE2' ' HE1' ' A' ' 7' ' ' TRP . 2.7 mp0 -71.38 -30.29 65.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 1.5700000000000001 111.249 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -59.97 -41.13 91.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.398 0.618 . . . . 0.60999999999999999 109.868 179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.0 OUTLIER -62.56 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.275 -0.875 . . . . 0.48999999999999999 110.821 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.98 -57.52 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.54 0.57 . . . . 1.04 112.54 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.907 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -64.31 -41.82 93.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.577 0.227 . . . . 0.32000000000000001 111.3 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.33 86.83 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.462 -0.335 . . . . 0.34000000000000002 110.763 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.42 -45.23 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.425 -0.352 . . . . 0.35999999999999999 110.769 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.9 -31.69 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.466 0.651 . . . . 0.28000000000000003 109.71 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.665 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.29 -29.55 47.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.039 -0.982 . . . . 0.28000000000000003 112.147 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.52 -55.47 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.246 -0.283 . . . . 0.34999999999999998 111.395 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.52 -23.41 61.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.36 . . . . 0.44 111.304 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.686 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.8 OUTLIER -63.14 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.152 -0.476 . . . . 0.34999999999999998 110.689 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.963 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.9 m-85 -120.14 19.07 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.171 0.434 . . . . 1.05 112.171 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.48 32.0 57.63 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.251 -0.431 . . . . 0.34000000000000002 113.632 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 61.7 12.3 4.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.275 0.472 . . . . 0.84999999999999998 112.275 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -67.34 -45.7 75.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.965 0.412 . . . . 1.8899999999999999 110.879 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' B' ' 28' ' ' ILE . 0.8 OUTLIER -66.79 -60.24 2.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.322 0.582 . . . . 5.9800000000000004 110.695 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.475 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.6 mp -57.18 -32.76 66.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.887 -1.051 . . . . 0.85999999999999999 112.129 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.58 -21.04 79.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.574 -0.822 . . . . 0.87 112.377 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -98.05 -70.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.634 0.235 . . . . 0.89000000000000001 111.634 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.545 HG22 ' O ' ' B' ' 24' ' ' LYS . 7.7 tt -64.03 -33.45 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.974 0.416 . . . . 1.25 111.367 -178.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.07 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.5 112.886 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -70.56 -43.22 69.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.979 0.419 . . . . 0.93999999999999995 110.015 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -55.81 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.633 -0.712 . . . . 1.48 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.429 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -68.66 -20.06 64.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.58999999999999997 110.639 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.536 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.71 -36.08 81.83 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 109.78 -1.328 . . . . 0.41999999999999998 109.78 177.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -75.79 -23.63 55.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.789 0.804 . . . . 0.48999999999999999 109.417 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -73.63 -40.21 63.95 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.14 -0.936 . . . . 0.47999999999999998 110.729 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' O ' ' B' ' 33' ' ' GLY . 4.5 tp -67.89 -31.08 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.224 -0.444 . . . . 1.03 112.0 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.8 pttt -72.0 -26.8 62.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.754 0.311 . . . . 0.69999999999999996 110.532 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.89 -35.39 18.95 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.71 -0.757 . . . . 0.51000000000000001 111.505 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -72.67 -49.18 33.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.671 -0.264 . . . . 1.48 110.353 179.381 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -61.85 -22.31 65.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.6100000000000001 110.973 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.505 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 29.6 tttp -82.47 -5.63 58.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.921 0.391 . . . . 1.04 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -90.21 -6.05 55.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.40999999999999998 110.119 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 37.6 mtm -135.68 20.5 3.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.085 -0.507 . . . . 1.3899999999999999 111.295 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.505 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 10.9 p -106.09 113.68 27.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.237 0.541 . . . . 1.3500000000000001 112.089 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -104.71 152.96 21.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.884 -0.598 . . . . 2.8300000000000001 110.151 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.46 81.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.999 0.812 . . . . 5.0599999999999996 111.661 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.048 -0.977 . . . . 6.25 109.97 179.808 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ttt . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.065 -0.346 . . . . 10.039999999999999 110.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.79 179.6 47.55 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.087 -0.578 . . . . 6.3200000000000003 111.795 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 128.21 3.29 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.972 -0.633 . . . . 4.6799999999999997 111.959 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.9 90.59 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.916 0.389 . . . . 4.3899999999999997 110.541 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -135.9 135.45 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.696 -0.684 . . . . 2.02 110.121 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mm -53.47 -42.02 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 122.75 0.42 . . . . 0.95999999999999996 111.853 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.442 ' HE1' ' NE2' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -54.42 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.92000000000000004 111.956 -179.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -65.59 -33.29 75.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 1.5 111.496 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.02 110.579 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -63.97 -44.38 92.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.52000000000000002 110.793 179.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.91 -47.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 0.98999999999999999 111.061 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.8 mt -65.86 -38.83 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.334 . . . . 0.60999999999999999 110.112 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -59.66 -48.06 83.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.48999999999999999 110.138 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.907 HG21 HG22 ' B' ' 12' ' ' ILE . 14.4 t -58.41 -37.85 66.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 113.749 -1.568 . . . . 0.34000000000000002 112.654 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 54.3 mt -81.23 -33.49 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.41999999999999998 111.408 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -30.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 112.478 0.547 . . . . 0.51000000000000001 112.478 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.963 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 3.1 t -61.69 -44.03 98.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 113.548 0.944 . . . . 0.37 113.548 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -76.8 -16.09 59.55 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.588 -0.445 . . . . 0.40000000000000002 110.652 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 19.8 mt -76.48 -31.82 57.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.46999999999999997 111.182 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -112.64 8.09 18.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.899 0.333 . . . . 1.1200000000000001 111.899 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 59.88 36.28 89.54 Favored Glycine 0 C--O 1.227 -0.305 0 C-N-CA 120.906 -0.664 . . . . 0.65000000000000002 113.262 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.538 HG22 HG12 ' A' ' 17' ' ' VAL . 9.0 p 65.01 -6.47 0.33 Allowed 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.1 1.148 . . . . 1.46 114.1 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.01 -55.59 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.767 0.655 . . . . 1.3300000000000001 112.767 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 28' ' ' ILE . 30.2 mmmt -56.79 -54.95 40.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.127 0.418 . . . . 1.3600000000000001 112.127 -178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD13 HG13 ' A' ' 17' ' ' VAL . 2.9 mp -55.55 -48.14 75.24 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.682 0.253 . . . . 0.66000000000000003 111.682 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.97 -24.61 65.05 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 121.044 -0.598 . . . . 0.68999999999999995 113.853 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -98.12 -68.67 0.79 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.41 0.605 . . . . 0.78000000000000003 112.251 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' LYS . 12.6 tt -60.53 -29.45 44.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.685 0.254 . . . . 1.52 111.685 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.36 -37.04 92.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.587 -0.816 . . . . 0.52000000000000002 111.976 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 t -69.83 -47.04 64.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.834 0.35 . . . . 0.94999999999999996 110.068 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.8 -50.73 71.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.657 -0.701 . . . . 1.29 110.812 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.82 -30.76 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 1.28 110.653 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -62.44 -49.1 77.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.975 -0.631 . . . . 0.38 111.686 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.43 -13.07 62.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.0 0.428 . . . . 0.42999999999999999 111.158 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 m -86.96 -36.81 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.706 -0.479 . . . . 0.40999999999999998 109.706 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 33' ' ' GLY . 4.6 tp -66.29 -31.28 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 110.794 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -72.57 -17.58 61.69 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 116.588 -0.278 . . . . 0.68000000000000005 111.058 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.32 -46.76 3.2 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.705 -0.759 . . . . 0.34000000000000002 111.396 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -63.7 -43.68 95.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.888 0.375 . . . . 1.48 111.341 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' B' ' 39' ' ' PHE . 3.5 tptt -79.22 -6.27 56.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.493 -0.322 . . . . 1.48 111.681 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 39.6 tttp -91.0 -16.23 28.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.006 0.431 . . . . 1.1499999999999999 110.161 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.29 -26.85 24.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.095 -0.502 . . . . 0.75 111.367 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 mtm -91.14 52.9 2.22 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.191 0.52 . . . . 1.01 110.194 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 p -75.56 89.04 2.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.651 -0.704 . . . . 1.2 110.925 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -109.14 -5.33 16.01 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.456 -0.572 . . . . 1.6299999999999999 109.456 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 64.21 177.34 0.18 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 114.802 -1.09 . . . . 4.04 111.978 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.205 -0.902 . . . . 4.2999999999999998 109.966 179.618 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.052 -0.351 . . . . 8.0099999999999998 110.052 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.19 -173.89 28.1 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.534 -0.841 . . . . 6.0800000000000001 112.099 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.571 ' O ' ' HA3' ' A' ' 3' ' ' GLY . . . -71.34 153.45 50.78 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.803 -0.713 . . . . 4.7999999999999998 111.584 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.4 HG23 HG21 ' A' ' 6' ' ' ILE . 19.9 mt -118.14 110.94 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.998 0.428 . . . . 4.2000000000000002 111.023 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.46 76.42 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.198 -0.455 . . . . 2.2200000000000002 110.204 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -50.64 -42.19 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.639 -0.709 . . . . 0.92000000000000004 111.675 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -61.44 2.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.627 . . . . 1.1399999999999999 111.839 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.28 -31.01 68.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 1.5700000000000001 111.469 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.512 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.98 -41.91 98.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.225 -0.443 . . . . 0.60999999999999999 110.29 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 10' ' ' LEU . 2.0 mt -60.62 -38.73 85.71 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.935 -0.575 . . . . 0.48999999999999999 111.24 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.19 -60.39 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.323 0.49 . . . . 1.04 112.323 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.888 HG22 HG21 ' A' ' 14' ' ' VAL . 3.6 mt -66.46 -38.3 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.569 0.224 . . . . 0.32000000000000001 111.452 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -64.85 -39.58 93.79 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.623 0.249 . . . . 0.34000000000000002 110.74 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -64.18 -41.94 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 116.564 -0.289 . . . . 0.35999999999999999 110.755 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.65 -31.11 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.338 0.589 . . . . 0.28000000000000003 110.075 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.724 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -62.61 -35.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.28000000000000003 111.327 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.5 t -56.44 -48.72 79.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.73 -0.213 . . . . 0.34999999999999998 111.427 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.34 -17.24 46.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.861 0.363 . . . . 0.44 111.405 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.666 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -64.06 -38.07 89.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.34999999999999998 110.475 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.3 m-85 -119.82 5.29 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 1.05 110.981 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.0 93.39 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 115.668 -0.696 . . . . 0.34000000000000002 113.72 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.45 ' HA ' HD13 ' B' ' 25' ' ' LEU . 0.6 OUTLIER 57.03 25.15 10.39 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.06 0.393 . . . . 0.84999999999999998 112.06 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -54.08 -45.05 71.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.19 -0.459 . . . . 1.8899999999999999 112.037 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 28' ' ' ILE . 34.3 mmtm -124.33 -7.3 7.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.309 0.485 . . . . 5.9800000000000004 112.309 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' B' ' 22' ' ' THR . 1.0 OUTLIER -56.65 -36.19 69.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.85999999999999999 110.817 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -35.89 34.37 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.727 -0.749 . . . . 0.87 111.953 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -58.72 4.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.618 0.247 . . . . 0.89000000000000001 111.449 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.891 HG22 ' HA2' ' A' ' 26' ' ' GLY . 1.6 pt -62.48 -30.42 49.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.226 0.536 . . . . 1.25 109.867 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.01 -25.68 68.5 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.5 112.416 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -49.89 21.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.662 -0.496 . . . . 0.93999999999999995 109.662 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.48 -55.76 27.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.04 -0.527 . . . . 1.48 110.83 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.03 -27.92 67.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.58999999999999997 110.797 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.01 94.21 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 110.708 -0.957 . . . . 0.41999999999999998 110.708 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.1 -34.99 78.81 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.743 0.782 . . . . 0.48999999999999999 109.328 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.1 m -68.09 -33.04 73.79 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.783 -1.098 . . . . 0.47999999999999998 109.984 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -41.58 92.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.681 -0.69 . . . . 1.03 111.037 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -80.4 -15.21 57.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.003 0.43 . . . . 0.69999999999999996 110.472 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.33 -42.34 7.03 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.85 -0.691 . . . . 0.51000000000000001 112.409 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.506 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.5 OUTLIER -77.1 -36.91 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.581 0.229 . . . . 1.48 110.818 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -69.21 -17.57 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.94 0.4 . . . . 1.6100000000000001 110.318 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -71.64 -16.55 62.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 1.04 110.29 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -89.94 -9.77 47.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.40999999999999998 109.728 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 16.3 mtp -121.91 21.98 10.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 1.3899999999999999 111.004 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p -101.63 154.54 18.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.714 0.292 . . . . 1.3500000000000001 110.665 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -144.56 174.21 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.749 -0.463 . . . . 2.8300000000000001 109.749 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 t70 63.25 37.39 11.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.522 0.677 . . . . 5.0599999999999996 110.77 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.022 -0.989 . . . . 6.25 109.834 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.693 -0.484 . . . . 10.039999999999999 109.693 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.13 13.72 14.96 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.21 -0.995 . . . . 6.3200000000000003 112.812 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' B' ' 3' ' ' GLY . . . 95.23 49.69 2.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.635 -0.793 . . . . 4.6799999999999997 112.542 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pt -66.0 -19.84 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 4.3899999999999997 111.166 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -14.31 58.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.46 -0.791 . . . . 2.02 112.164 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.4 HG21 HG23 ' B' ' 4' ' ' ILE . 46.1 mm -91.5 -46.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.78 0.324 . . . . 0.95999999999999996 110.998 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -65.73 0.51 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.53 -0.759 . . . . 0.92000000000000004 112.531 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.11 -30.53 70.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.577 . . . . 1.5 112.089 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -35.42 77.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.535 -0.302 . . . . 1.02 111.316 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.1 OUTLIER -64.87 -42.65 94.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.741 -0.209 . . . . 0.52000000000000002 110.597 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.7 mt -53.42 -52.14 34.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 O-C-N 123.319 0.387 . . . . 0.98999999999999999 110.669 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.6 mt -64.62 -40.62 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.60999999999999999 110.551 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.97 -49.37 75.93 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.994 0.902 . . . . 0.48999999999999999 110.323 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.888 HG21 HG22 ' B' ' 12' ' ' ILE . 17.6 t -58.55 -36.51 59.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 113.643 -1.617 . . . . 0.34000000000000002 112.425 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 39.6 mt -78.07 -34.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.866 0.365 . . . . 0.41999999999999998 111.301 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.06 -32.93 41.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-N 116.252 -0.431 . . . . 0.51000000000000001 111.901 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -61.19 -42.59 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.849 0.685 . . . . 0.37 112.849 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.17 -18.7 41.81 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.40000000000000002 110.922 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 9.4 mt -66.58 -41.55 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.46999999999999997 111.784 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -106.84 14.86 26.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.377 -0.374 . . . . 1.1200000000000001 110.94 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 54.33 46.11 73.01 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.65000000000000002 112.844 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.603 HG22 HG12 ' A' ' 17' ' ' VAL . 55.2 p 57.21 14.0 1.89 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.2 1.0 . . . . 1.46 113.176 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -91.51 16.89 9.46 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.593 0.59 . . . . 1.3300000000000001 112.593 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -138.88 12.71 2.67 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.974 -0.291 . . . . 1.3600000000000001 111.49 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD13 HG13 ' A' ' 17' ' ' VAL . 4.5 mp -108.29 -35.31 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.058 -0.657 . . . . 0.66000000000000003 112.602 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.891 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -71.59 -54.57 8.46 Favored Glycine 0 CA--C 1.508 -0.397 0 C-N-CA 120.493 -0.86 . . . . 0.68999999999999995 114.715 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.68 -54.17 35.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.702 0.63 . . . . 0.78000000000000003 112.702 -177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pt -63.18 -29.91 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.002 0.43 . . . . 1.52 110.274 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.84 -38.91 76.2 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.826 -0.702 . . . . 0.52000000000000002 111.359 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.5 t -67.58 -48.19 67.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.583 0.23 . . . . 0.94999999999999996 110.385 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.16 -48.75 79.3 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.984 0.421 . . . . 1.29 110.923 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.7 mt -70.53 -37.32 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.833 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.04 -46.35 91.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.141 -0.552 . . . . 0.38 112.043 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -22.97 65.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.087 0.47 . . . . 0.42999999999999999 110.5 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -83.13 -25.23 32.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.808 -0.812 . . . . 0.40999999999999998 108.808 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.0 -34.05 67.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.428 -0.805 . . . . 0.93999999999999995 109.862 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.6 pttt -86.92 -5.68 59.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.605 -0.725 . . . . 0.68000000000000005 110.366 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.28 -46.81 2.95 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.767 -0.73 . . . . 0.34000000000000002 112.353 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -75.6 -33.49 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.786 0.293 . . . . 1.48 111.529 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HG2' ' HD1' ' B' ' 39' ' ' PHE . 6.0 tptt -81.95 -9.54 59.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 1.48 110.826 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.7 tptp -72.85 -18.52 61.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 1.1499999999999999 109.809 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.85 -0.52 31.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.75 111.584 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -110.37 83.4 1.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.234 0.54 . . . . 1.01 110.35 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -135.49 104.64 5.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.329 -0.85 . . . . 1.2 109.949 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -163.64 95.26 0.81 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.567 -0.288 . . . . 1.6299999999999999 111.005 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 67.14 81.22 0.2 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.389 -0.823 . . . . 4.04 111.012 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.285 -0.864 . . . . 4.2999999999999998 110.578 -179.727 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.403 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 23.6 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.58 0.228 . . . . 8.0099999999999998 110.466 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.727 ' HA3' ' SD ' ' A' ' 1' ' ' MET . . . 179.64 167.52 37.04 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.521 -0.847 . . . . 6.0800000000000001 112.415 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.81 56.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.38 -0.688 . . . . 4.7999999999999998 111.38 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 5' ' ' SER . 14.8 mt -96.89 123.17 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.964 0.412 . . . . 4.2000000000000002 110.589 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.533 ' HB2' ' OE1' ' B' ' 8' ' ' GLN . 16.4 m -145.2 150.54 36.9 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.084 -0.507 . . . . 2.2200000000000002 109.813 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' B' ' 9' ' ' LEU . 38.4 mm -65.93 -23.97 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.031 -0.531 . . . . 0.92000000000000004 110.615 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -60.99 2.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 1.1399999999999999 111.339 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.533 ' OE1' ' HB2' ' B' ' 5' ' ' SER . 20.8 mp0 -71.2 -32.73 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.266 -0.425 . . . . 1.5700000000000001 110.902 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.576 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.2 -40.93 91.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.985 -0.552 . . . . 0.60999999999999999 110.257 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.87 -43.19 96.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.496 -0.775 . . . . 0.48999999999999999 110.826 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.6 -57.71 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.636 0.606 . . . . 1.04 112.636 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 14' ' ' VAL . 3.8 mt -63.89 -42.18 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.678 0.275 . . . . 0.32000000000000001 111.439 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.19 93.65 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.212 -0.449 . . . . 0.34000000000000002 110.513 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.66 -43.67 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.924 -0.58 . . . . 0.35999999999999999 110.728 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.01 -31.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.041 0.448 . . . . 0.28000000000000003 109.877 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.831 HG23 HG13 ' A' ' 14' ' ' VAL . 1.2 t -64.15 -32.69 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.689 -0.687 . . . . 0.28000000000000003 110.841 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.508 HG13 HG23 ' B' ' 22' ' ' THR . 45.1 t -57.37 -48.17 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.408 -0.36 . . . . 0.34999999999999998 111.592 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.49 -15.31 46.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.596 -0.275 . . . . 0.44 111.237 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -62.93 -37.71 88.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.34999999999999998 110.574 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.967 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.2 m-85 -114.63 -15.81 11.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.71 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.53 43.07 9.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.008 -0.615 . . . . 0.34000000000000002 113.275 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.508 HG23 HG13 ' B' ' 17' ' ' VAL . 0.8 OUTLIER 47.27 35.01 3.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.128 0.571 . . . . 0.84999999999999998 112.424 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -64.95 -63.03 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.921 0.341 . . . . 1.8899999999999999 111.921 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' HG22 ' A' ' 22' ' ' THR . 53.5 mmtt -109.11 1.34 20.35 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.669 -0.412 . . . . 5.9800000000000004 111.672 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.95 -39.09 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.835 -0.431 . . . . 0.85999999999999999 109.835 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.26 -35.13 63.89 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.96 -0.638 . . . . 0.87 111.641 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.62 -56.54 7.89 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.675 0.274 . . . . 0.89000000000000001 110.815 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 26' ' ' GLY . 30.6 pt -64.37 -32.58 58.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-O 121.077 0.465 . . . . 1.25 110.187 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.56 -32.01 67.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.811 -0.631 . . . . 0.5 112.109 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -77.13 -45.95 25.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.476 -0.564 . . . . 0.93999999999999995 109.476 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -56.05 22.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.787 -0.642 . . . . 1.48 110.497 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.3 OUTLIER -68.21 -24.72 64.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.58999999999999997 110.49 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.537 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.89 -37.42 88.11 Favored Glycine 0 C--N 1.33 0.217 0 N-CA-C 110.292 -1.123 . . . . 0.41999999999999998 110.292 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -72.01 -26.05 62.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.775 0.798 . . . . 0.48999999999999999 109.304 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.1 m -76.25 -43.23 42.91 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.68 -1.145 . . . . 0.47999999999999998 110.76 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.689 ' HA ' ' CE2' ' B' ' 39' ' ' PHE . 15.0 tt -65.12 -33.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.093 0 CA-C-N 116.191 -0.458 . . . . 1.03 112.0 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 63.7 pttt -72.08 -10.03 59.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.109 0.481 . . . . 0.69999999999999996 110.542 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.92 -42.99 3.96 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.923 -0.656 . . . . 0.51000000000000001 113.004 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.689 ' CE2' ' HA ' ' B' ' 36' ' ' ILE . 17.8 p90 -89.1 -33.2 17.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 117.158 0.479 . . . . 1.48 111.93 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -67.97 -18.62 64.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.293 0.568 . . . . 1.6100000000000001 109.734 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -84.05 -12.73 54.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.591 -0.731 . . . . 1.04 109.403 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -73.48 -35.27 65.66 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.015 -0.539 . . . . 0.40999999999999998 109.662 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 2.8 mpp? -100.58 47.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.455 -0.793 . . . . 1.3899999999999999 110.216 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -156.06 145.97 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 1.3500000000000001 110.692 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -153.79 165.95 34.4 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.05 -0.352 . . . . 2.8300000000000001 110.05 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.68 69.36 0.65 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.709 0.63 . . . . 5.0599999999999996 110.709 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.02 -0.991 . . . . 6.25 109.934 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.727 ' SD ' ' HA3' ' B' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 109.998 -0.371 . . . . 10.039999999999999 109.998 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.57 -146.07 16.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.807 -0.711 . . . . 6.3200000000000003 111.936 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.06 178.71 47.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 4.6799999999999997 112.392 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.2 pt -64.72 107.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 4.3899999999999997 110.805 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HB3' HD11 ' B' ' 4' ' ' ILE . 14.6 m -128.92 -173.02 2.86 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.929 -0.578 . . . . 2.02 110.303 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.73 -28.36 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.992 0.425 . . . . 0.95999999999999996 110.979 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.54 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.661 -0.7 . . . . 0.92000000000000004 110.84 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -71.45 -33.33 69.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.256 -0.429 . . . . 1.5 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.35 -40.41 90.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.984 -0.553 . . . . 1.02 110.517 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' B' ' 9' ' ' LEU . 0.2 OUTLIER -64.68 -40.73 95.91 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.923 -0.58 . . . . 0.52000000000000002 110.538 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -57.32 -48.52 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.583 -0.28 . . . . 0.98999999999999999 110.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.7 -41.91 93.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.589 -0.278 . . . . 0.60999999999999999 110.379 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.45 69.73 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.729 0.776 . . . . 0.48999999999999999 110.382 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.831 HG13 HG23 ' B' ' 16' ' ' VAL . 5.9 t -58.75 -36.97 63.28 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 113.85 -1.523 . . . . 0.34000000000000002 112.154 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 91.8 mt -76.75 -36.29 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.009 0.433 . . . . 0.41999999999999998 111.505 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -27.4 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.325 0.491 . . . . 0.51000000000000001 112.325 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.967 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.1 t -64.34 -42.19 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.742 0.645 . . . . 0.37 112.742 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.74 -19.32 55.37 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.366 -0.534 . . . . 0.40000000000000002 111.091 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 16.6 mt -65.49 -38.62 90.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.294 -0.412 . . . . 0.46999999999999997 111.124 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -105.97 17.76 23.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.272 -0.422 . . . . 1.1200000000000001 111.289 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.27 33.57 58.26 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 116.122 -0.49 . . . . 0.65000000000000002 113.283 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.528 HG22 ' HB2' ' B' ' 24' ' ' LYS . 0.3 OUTLIER 64.97 -0.39 1.04 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.617 0.599 . . . . 1.46 112.617 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -69.92 -54.65 12.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.171 0.804 . . . . 1.3300000000000001 113.171 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' HG12 ' A' ' 28' ' ' ILE . 20.6 mmmt -52.72 -46.6 67.47 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.99 0.367 . . . . 1.3600000000000001 111.99 -178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 17' ' ' VAL . 5.4 mp -56.12 -44.71 79.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.66000000000000003 111.545 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -51.22 -36.74 36.9 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.41 -0.814 . . . . 0.68999999999999995 114.263 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -98.04 -44.81 6.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 112.781 0.659 . . . . 0.78000000000000003 112.781 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 24' ' ' LYS . 31.1 pt -63.35 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.676 -0.41 . . . . 1.52 110.93 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.67 -40.89 90.18 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.78 -0.724 . . . . 0.52000000000000002 111.513 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.7 t -68.41 -47.78 66.39 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 110.072 -0.344 . . . . 0.94999999999999996 110.072 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -53.6 56.56 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.269 -0.423 . . . . 1.29 111.24 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.35 -32.99 73.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.519 -0.31 . . . . 1.28 110.903 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.747 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.4 -47.42 87.65 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.454 -0.658 . . . . 0.38 111.454 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.36 -11.33 59.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.42999999999999999 110.908 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 m -93.0 -34.68 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.027 -0.533 . . . . 0.40999999999999998 109.617 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 33' ' ' GLY . 12.5 tt -66.92 -28.91 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.027 -0.533 . . . . 0.93999999999999995 110.582 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' B' ' 39' ' ' PHE . 63.2 pttt -74.2 -7.93 54.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.68000000000000005 110.383 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.26 -60.16 0.96 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.871 -0.681 . . . . 0.34000000000000002 113.689 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE2' ' HA ' ' A' ' 36' ' ' ILE . 36.0 p90 -70.83 -28.01 64.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 117.642 0.721 . . . . 1.48 112.654 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.683 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 22.0 tptt -83.5 -9.53 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.174 0.511 . . . . 1.48 109.936 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' B' ' 42' ' ' ALA . 52.3 tttp -91.84 -5.9 52.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.483 0.659 . . . . 1.1499999999999999 109.28 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.39 16.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.481 -0.781 . . . . 0.75 110.865 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.9 mtm -89.85 47.19 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.082 -0.508 . . . . 1.01 110.657 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 55.93 2.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.25 0.548 . . . . 1.2 110.91 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -85.01 82.4 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.93 -0.577 . . . . 1.6299999999999999 110.053 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.55 -157.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.752 -1.113 . . . . 4.04 111.086 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 43' ' ' MET . 25.7 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.319 -0.848 . . . . 4.2999999999999998 110.172 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.6 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.833 -0.432 . . . . 8.0099999999999998 109.833 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.06 -93.08 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.824 -0.703 . . . . 6.0800000000000001 111.904 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.58 176.12 37.41 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.677 -0.773 . . . . 4.7999999999999998 112.354 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.403 ' HB ' ' H ' ' B' ' 5' ' ' SER . 4.7 pt -124.76 -165.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.436 -0.209 . . . . 4.2000000000000002 110.436 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.403 ' H ' ' HB ' ' B' ' 4' ' ' ILE . 0.0 OUTLIER -71.87 81.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 2.2200000000000002 111.049 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mm -91.44 -20.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.733 -0.667 . . . . 0.92000000000000004 111.32 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -52.96 -64.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.034 0.445 . . . . 1.1399999999999999 111.695 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.602 ' HB2' ' HE1' ' A' ' 7' ' ' TRP . 27.1 mp0 -70.71 -25.97 63.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.176 -0.466 . . . . 1.5700000000000001 111.006 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.556 HD13 HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -63.56 -36.52 84.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.243 0.544 . . . . 0.60999999999999999 109.831 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.49 -39.98 95.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.305 -0.862 . . . . 0.48999999999999999 111.138 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 66.9 mt -50.95 -56.45 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 112.785 0.661 . . . . 1.04 112.785 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 1.5 mt -66.74 -40.16 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 111.564 0.209 . . . . 0.32000000000000001 111.564 -178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.69 88.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.838 0.351 . . . . 0.34000000000000002 110.94 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.81 -45.8 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.197 -0.456 . . . . 0.35999999999999999 110.444 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 62.3 mt -61.02 -34.54 60.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.49 0.662 . . . . 0.28000000000000003 110.216 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.655 HG13 ' HE2' ' B' ' 20' ' ' PHE . 1.4 t -61.79 -35.18 66.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.46 -0.791 . . . . 0.28000000000000003 111.569 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 t -57.21 -42.72 80.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.678 0.275 . . . . 0.34999999999999998 111.673 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -87.53 -26.34 23.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.717 0.294 . . . . 0.44 110.97 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.663 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -55.71 -40.9 73.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.738 -0.665 . . . . 0.34999999999999998 111.417 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.992 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.1 m-85 -117.36 19.68 13.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 1.05 111.396 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.24 27.11 45.59 Favored Glycine 0 CA--C 1.518 0.267 0 CA-C-N 115.754 -0.657 . . . . 0.34000000000000002 114.086 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.663 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 57.48 27.19 13.62 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.828 0.347 . . . . 0.84999999999999998 111.513 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -62.29 -83.73 0.02 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.303 -0.408 . . . . 1.8899999999999999 111.551 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.445 ' O ' HG12 ' B' ' 28' ' ' ILE . 65.3 mmtt -70.52 -15.16 62.76 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.98 -0.288 . . . . 5.9800000000000004 111.451 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' B' ' 22' ' ' THR . 0.7 OUTLIER -60.28 -33.65 72.64 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.807 -0.442 . . . . 0.85999999999999999 109.807 178.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.48 -42.84 47.08 Favored Glycine 0 N--CA 1.44 -1.075 0 C-N-CA 120.495 -0.86 . . . . 0.87 111.139 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -59.12 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.134 0.174 . . . . 0.89000000000000001 111.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 24' ' ' LYS . 22.1 pt -61.27 -33.22 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.004 0.431 . . . . 1.25 110.378 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.57 -36.22 62.5 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.162 -0.542 . . . . 0.5 112.351 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -71.75 -47.47 53.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.845 0.323 . . . . 0.93999999999999995 110.595 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.88 -56.36 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.106 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 1.1 mt -68.32 -26.71 65.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.2 -0.455 . . . . 0.58999999999999997 110.889 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.617 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.11 -40.87 88.08 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.988 -0.845 . . . . 0.41999999999999998 110.988 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.945 0.878 . . . . 0.48999999999999999 109.333 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 44.4 m -72.23 -33.16 67.35 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.373 -1.285 . . . . 0.47999999999999998 111.114 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.617 HG22 ' O ' ' B' ' 33' ' ' GLY . 3.5 tp -69.58 -35.01 64.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.524 -0.307 . . . . 1.03 111.269 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -77.48 -14.01 59.78 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.901 0.381 . . . . 0.69999999999999996 110.583 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.7 -40.88 5.52 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.669 -0.973 . . . . 0.51000000000000001 110.669 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.644 ' CD1' ' HG2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -69.87 -45.56 67.44 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.685 -0.257 . . . . 1.48 110.557 179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' SD ' ' B' ' 43' ' ' MET . 14.6 tptt -69.91 -9.91 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 1.6100000000000001 110.881 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -91.16 -8.7 47.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.086 0.47 . . . . 1.04 110.337 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 41' ' ' LYS . . . -82.65 -20.53 36.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.557 -0.534 . . . . 0.40999999999999998 109.557 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HA ' ' B' ' 40' ' ' LYS . 0.0 OUTLIER -126.79 25.96 6.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.656 -0.702 . . . . 1.3899999999999999 111.224 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 25.2 p -95.19 166.34 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.918 0.389 . . . . 1.3500000000000001 111.516 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -161.5 163.89 30.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.679 -0.692 . . . . 2.8300000000000001 109.494 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.52 48.68 21.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.05 0.844 . . . . 5.0599999999999996 111.291 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.057 -0.973 . . . . 6.25 110.075 179.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.894 0.378 . . . . 10.039999999999999 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.13 153.78 18.13 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.801 -0.714 . . . . 6.3200000000000003 112.043 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.59 26.06 63.95 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.578 . . . . 4.6799999999999997 112.281 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.8 mt -123.44 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.132 0.492 . . . . 4.3899999999999997 110.344 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -104.47 -158.44 0.66 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.859 -0.61 . . . . 2.02 109.917 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.38 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.99 0.424 . . . . 0.95999999999999996 109.888 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.602 ' HE1' ' HB2' ' B' ' 8' ' ' GLN . 1.8 t90 -57.26 -55.95 28.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.591 -0.731 . . . . 0.92000000000000004 110.428 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -71.25 -32.48 68.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.591 -0.731 . . . . 1.5 110.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -39.04 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 1.02 110.872 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -62.17 -39.68 93.48 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.52000000000000002 110.822 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 15' ' ' ILE . 75.4 mt -54.15 -47.55 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.98999999999999999 111.015 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mt -67.12 -40.15 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.768 -0.456 . . . . 0.60999999999999999 109.768 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -58.14 -48.97 78.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.622 0.725 . . . . 0.48999999999999999 110.38 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 31.3 t -55.07 -37.13 41.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 114.146 -1.388 . . . . 0.34000000000000002 112.353 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 27.9 mt -82.28 -36.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.938 0.399 . . . . 0.41999999999999998 111.408 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG13 ' CE2' ' A' ' 20' ' ' PHE . 1.9 t -56.82 -35.07 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.653 0.612 . . . . 0.51000000000000001 112.653 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.992 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.5 t -62.64 -36.55 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.939 0.718 . . . . 0.37 112.939 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -85.71 -25.43 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.0 -0.68 . . . . 0.40000000000000002 110.691 179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 14.4 mt -60.5 -40.08 90.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.654 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 16' ' ' VAL . 20.4 m-85 -99.83 19.97 15.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.197 -0.456 . . . . 1.1200000000000001 111.71 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.05 23.51 63.92 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 121.175 -0.536 . . . . 0.65000000000000002 113.821 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m 57.57 59.54 3.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.204 0.526 . . . . 1.46 111.064 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -129.3 -68.07 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.416 . . . . 1.3300000000000001 111.796 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 28' ' ' ILE . 10.5 mmtt -46.84 -42.5 17.39 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.222 0.823 . . . . 1.3600000000000001 113.222 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' A' ' 17' ' ' VAL . 2.6 mp -49.56 -42.34 43.96 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.553 0.533 . . . . 0.66000000000000003 112.046 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' B' ' 28' ' ' ILE . . . -54.4 -53.93 35.31 Favored Glycine 0 N--CA 1.454 -0.118 0 CA-C-N 115.759 -0.655 . . . . 0.68999999999999995 114.52 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -45.22 23.61 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.038 0.755 . . . . 0.78000000000000003 113.038 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' LYS . 33.3 pt -64.33 -31.71 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.503 -0.479 . . . . 1.52 110.647 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.81 -35.32 54.82 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.682 -0.771 . . . . 0.52000000000000002 111.402 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -71.64 -49.88 35.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.582 0.23 . . . . 0.94999999999999996 110.787 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -53.39 58.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 1.29 111.053 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.53 -29.17 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 1.28 110.701 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -65.47 -50.77 53.42 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.761 -0.654 . . . . 0.38 112.772 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -67.86 -18.14 64.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.211 0.529 . . . . 0.42999999999999999 110.732 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -82.23 -24.92 34.59 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.957 -0.565 . . . . 0.40999999999999998 109.744 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' GLY . 3.6 tp -72.7 -28.9 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.082 -0.508 . . . . 0.93999999999999995 110.572 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 63.5 pttt -81.37 -11.06 59.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.68000000000000005 110.377 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.97 -41.17 3.59 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.578 -0.82 . . . . 0.34000000000000002 111.596 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -40.71 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 1.48 111.384 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HG2' ' CD1' ' B' ' 39' ' ' PHE . 4.2 tptt -84.02 -5.31 59.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.702 0.287 . . . . 1.48 111.347 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 54.0 tttp -85.9 -12.75 49.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 1.1499999999999999 109.938 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.59 -16.0 20.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.75 111.454 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.4 ptm -128.09 93.51 3.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.008 -0.542 . . . . 1.01 110.245 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' ' OE2' ' A' ' 47' ' ' GLU . 4.8 p -149.04 129.9 14.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.84 -0.618 . . . . 1.2 110.238 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -170.97 105.14 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.205 0.316 . . . . 1.6299999999999999 110.88 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.27 81.95 0.12 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.354 0.597 . . . . 4.04 111.649 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 44' ' ' SER . 14.5 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.196 -0.907 . . . . 4.2999999999999998 110.332 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ptt? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.006 -0.368 . . . . 8.0099999999999998 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.2 -157.36 14.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.608 -0.806 . . . . 6.0800000000000001 111.822 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.86 -50.04 0.11 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.925 -0.655 . . . . 4.7999999999999998 111.62 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.7 pt -117.82 25.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.859 0.362 . . . . 4.2000000000000002 111.485 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -66.88 100.15 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 2.2200000000000002 110.886 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.48 -25.66 35.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 111.72 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -51.51 -67.84 0.22 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.1399999999999999 111.884 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.532 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 1.6 mp0 -67.35 -25.63 66.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.389 -0.369 . . . . 1.5700000000000001 111.416 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.623 HD13 HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.13 -43.3 95.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.60999999999999999 109.882 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -72.74 -39.65 66.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 110.615 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.2 mp -53.65 -47.52 61.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.05 -0.523 . . . . 1.04 112.398 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.895 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -77.31 -38.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 C-N-CA 120.926 -0.31 . . . . 0.32000000000000001 111.398 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.39 90.93 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.424 -0.353 . . . . 0.34000000000000002 111.188 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.25 -44.27 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.811 0.339 . . . . 0.35999999999999999 110.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.51 -31.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 0.28000000000000003 110.538 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.669 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.59 -34.62 62.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.472 -0.786 . . . . 0.28000000000000003 111.888 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.09 -55.32 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 121.179 -0.209 . . . . 0.34999999999999998 111.483 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -27.43 61.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.603 -0.271 . . . . 0.44 111.212 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.1 tt -55.96 -38.99 71.1 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.976 -0.556 . . . . 0.34999999999999998 111.222 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.966 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 4.4 m-85 -115.18 18.52 16.17 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.828 0.307 . . . . 1.05 111.828 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.59 33.52 59.31 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.34000000000000002 113.927 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.4 m 62.11 6.34 1.75 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.552 0.575 . . . . 0.84999999999999998 112.552 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.83 -55.71 27.04 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.913 0.387 . . . . 1.8899999999999999 111.019 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.671 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.6 OUTLIER -58.18 -56.29 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.74 -0.664 . . . . 5.9800000000000004 110.823 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.428 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.4 mp -59.84 -29.56 68.35 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.209 -0.905 . . . . 0.85999999999999999 113.063 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.76 -18.86 60.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.488 -0.863 . . . . 0.87 112.562 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 7.0 m -98.49 -69.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.399 -0.471 . . . . 0.89000000000000001 111.836 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.687 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -62.94 -26.02 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.351 0.596 . . . . 1.25 110.51 -178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -33.1 86.34 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.261 -0.881 . . . . 0.5 113.141 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -75.95 -42.72 47.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.913 0.357 . . . . 0.93999999999999995 111.086 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.72 -58.43 6.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.155 0.502 . . . . 1.48 110.565 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.88 -22.11 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.134 -0.484 . . . . 0.58999999999999997 110.666 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.558 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -68.1 -36.83 86.43 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.378 -1.089 . . . . 0.41999999999999998 110.378 177.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -71.8 -30.33 65.4 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.768 0.794 . . . . 0.48999999999999999 109.249 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -70.66 -40.35 73.04 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 114.553 -1.203 . . . . 0.47999999999999998 110.976 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 33' ' ' GLY . 5.6 tp -68.75 -33.41 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.473 -0.33 . . . . 1.03 111.753 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 59.2 pttt -73.98 -25.66 60.05 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.881 -0.328 . . . . 0.69999999999999996 110.912 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.03 -38.89 9.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.795 -0.717 . . . . 0.51000000000000001 111.799 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -64.97 -47.75 76.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.802 0.334 . . . . 1.48 110.428 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -71.2 -12.7 61.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.546 -0.297 . . . . 1.6100000000000001 111.529 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' B' ' 44' ' ' SER . 48.5 tttp -82.91 -15.1 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.238 0.542 . . . . 1.04 109.711 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.44 -22.94 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.364 -0.606 . . . . 0.40999999999999998 109.364 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -116.48 28.97 8.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.635 -0.711 . . . . 1.3899999999999999 111.041 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' B' ' 41' ' ' LYS . 53.9 p -118.95 141.0 49.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 1.3500000000000001 111.126 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -105.02 141.05 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.947 -0.57 . . . . 2.8300000000000001 109.468 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.5 t0 74.2 -47.3 0.64 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.084 0.865 . . . . 5.0599999999999996 111.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.421 -0.8 . . . . 6.25 110.72 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.558 0.218 . . . . 10.039999999999999 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.45 -34.04 46.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 6.3200000000000003 112.641 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.08 103.77 1.53 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.817 -0.706 . . . . 4.6799999999999997 112.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mt -86.29 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.531 0.681 . . . . 4.3899999999999997 110.362 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -85.13 -175.23 5.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.574 -0.739 . . . . 2.02 110.817 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm -58.1 -26.85 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.95999999999999996 110.753 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HG2' ' B' ' 8' ' ' GLN . 5.0 m95 -54.33 -67.76 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.92000000000000004 111.358 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.99 -32.74 72.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.61 . . . . 1.5 110.995 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.28 -42.95 96.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.02 111.104 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.623 HD12 HD13 ' B' ' 9' ' ' LEU . 0.1 OUTLIER -71.71 -42.7 67.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.52000000000000002 110.583 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -45.56 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.468 -0.333 . . . . 0.98999999999999999 111.095 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.49 -37.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.823 -0.351 . . . . 0.60999999999999999 110.738 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.43 81.67 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.673 0.749 . . . . 0.48999999999999999 110.764 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.895 HG21 HG22 ' B' ' 12' ' ' ILE . 31.5 t -58.07 -35.85 54.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.297 -1.32 . . . . 0.34000000000000002 112.506 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.6 mt -80.88 -38.99 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.878 0.325 . . . . 0.41999999999999998 111.878 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -33.57 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.656 0.613 . . . . 0.51000000000000001 112.656 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.966 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.14 -46.45 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 113.752 1.019 . . . . 0.37 113.752 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -19.06 59.32 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.518 -0.473 . . . . 0.40000000000000002 110.927 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 13.6 mt -67.67 -37.94 83.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.46999999999999997 111.624 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.48 15.39 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.326 0.491 . . . . 1.1200000000000001 112.326 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.73 39.43 54.88 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.468 -0.396 . . . . 0.65000000000000002 113.538 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 14.4 p 62.31 1.68 0.75 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.106 1.15 . . . . 1.46 114.106 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.36 -48.07 44.64 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.281 0.474 . . . . 1.3300000000000001 112.281 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -60.56 -50.8 72.09 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.93 0.345 . . . . 1.3600000000000001 111.93 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -60.16 -42.48 95.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.88 0.326 . . . . 0.66000000000000003 111.88 -179.284 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.687 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -70.17 -23.13 77.44 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.797 -0.716 . . . . 0.68999999999999995 114.082 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -98.97 -65.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 117.391 0.595 . . . . 0.78000000000000003 112.375 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' H ' HG23 ' A' ' 28' ' ' ILE . 1.2 pt -64.88 -23.15 32.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 1.52 111.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.75 79.58 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.52000000000000002 111.99 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 t -72.49 -47.13 51.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.901 0.381 . . . . 0.94999999999999996 110.317 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.24 -47.77 84.56 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.772 -0.649 . . . . 1.29 110.712 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.75 -31.77 63.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.003 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -64.38 -48.38 74.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.38 111.771 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -66.84 -17.14 64.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.214 0.531 . . . . 0.42999999999999999 110.533 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -85.98 -33.82 20.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.04 -0.527 . . . . 0.40999999999999998 110.035 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 33' ' ' GLY . 6.4 tp -69.06 -31.96 52.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.93999999999999995 110.703 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.633 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 62.1 pttt -74.76 -17.63 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.68000000000000005 110.909 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.41 -44.91 4.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.813 -0.708 . . . . 0.34000000000000002 111.587 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.95 -39.81 90.9 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.576 0.351 . . . . 1.48 111.079 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' B' ' 39' ' ' PHE . 46.4 mttt -86.86 -7.39 58.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.66 0.267 . . . . 1.48 111.403 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 56.7 tttp -84.23 -14.5 49.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 1.1499999999999999 109.853 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.31 18.76 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.923 -0.581 . . . . 0.75 111.073 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -108.52 98.5 8.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.024 -0.732 . . . . 1.01 109.024 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -148.42 97.72 2.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.791 0.329 . . . . 1.2 111.292 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.15 41.55 1.53 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.13 0.49 . . . . 1.6299999999999999 110.235 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.97 52.33 3.39 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.263 -0.881 . . . . 4.04 110.343 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.251 1.151 0 CA-C-N 115.127 -0.942 . . . . 4.2999999999999998 110.806 -179.228 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 110.107 -0.331 . . . . 8.0099999999999998 110.107 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.89 81.89 1.24 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.74 -0.743 . . . . 6.0800000000000001 111.454 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.71 35.41 0.69 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.934 -0.65 . . . . 4.7999999999999998 111.628 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 69.3 mt -96.96 110.52 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 4.2000000000000002 110.544 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -139.38 152.26 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 2.2200000000000002 110.398 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.09 -25.81 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.92000000000000004 110.825 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -52.1 -62.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.791 -0.64 . . . . 1.1399999999999999 111.925 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -72.38 -27.58 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.627 -0.26 . . . . 1.5700000000000001 111.184 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' B' ' 9' ' ' LEU . 0.1 OUTLIER -61.6 -40.34 94.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.088 0.471 . . . . 0.60999999999999999 109.987 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.03 -40.72 90.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.497 -0.774 . . . . 0.48999999999999999 111.232 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 mp -55.44 -49.71 71.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.056 0.391 . . . . 1.04 112.056 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.761 HG22 HG21 ' A' ' 14' ' ' VAL . 1.6 mt -74.91 -42.48 46.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.32000000000000001 111.254 -178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.83 80.83 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.089 -0.505 . . . . 0.34000000000000002 110.649 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.96 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.978 -0.556 . . . . 0.35999999999999999 110.873 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' B' ' 18' ' ' LEU . 80.2 mt -65.32 -31.5 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.432 0.634 . . . . 0.28000000000000003 109.738 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -63.28 -34.07 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.297 -0.865 . . . . 0.28000000000000003 111.407 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 22.5 t -55.59 -53.29 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.484 -0.326 . . . . 0.34999999999999998 111.656 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 0.7 OUTLIER -76.13 -27.93 57.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.44 111.174 -179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.0 OUTLIER -56.15 -39.17 71.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.119 -0.491 . . . . 0.34999999999999998 111.282 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.978 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 5.6 m-85 -112.44 19.36 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.86 0.318 . . . . 1.05 111.86 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 49.92 43.16 39.52 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.167 -0.469 . . . . 0.34000000000000002 114.001 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p 54.54 14.17 0.78 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.443 0.905 . . . . 0.84999999999999998 113.443 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -73.45 -54.74 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 1.8899999999999999 110.627 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.611 ' O ' HG23 ' B' ' 28' ' ' ILE . 0.9 OUTLIER -59.63 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.46 0.648 . . . . 5.9800000000000004 110.461 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.501 ' H ' HD12 ' B' ' 25' ' ' LEU . 1.4 mp -65.3 -14.27 60.38 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.335 -0.848 . . . . 0.85999999999999999 111.881 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.44 -59.21 1.66 Allowed Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.553 -0.832 . . . . 0.87 112.198 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 50.3 m -66.3 -57.42 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.114 0.413 . . . . 0.89000000000000001 112.114 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.9 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -67.98 -26.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.406 0.622 . . . . 1.25 109.615 -179.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.47 -47.67 33.93 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.137 -0.938 . . . . 0.5 113.015 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.044 0.422 . . . . 0.93999999999999995 111.167 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -49.24 72.99 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.983 -0.553 . . . . 1.48 111.302 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -75.03 -21.49 59.03 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.788 -0.365 . . . . 0.58999999999999997 111.273 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.464 ' O ' HG22 ' B' ' 36' ' ' ILE . . . -67.45 -39.53 91.33 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 110.264 -1.135 . . . . 0.41999999999999998 110.264 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -69.05 -29.58 67.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.783 0.802 . . . . 0.48999999999999999 109.778 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -77.19 -31.36 55.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.815 -1.084 . . . . 0.47999999999999998 110.837 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.464 HG22 ' O ' ' B' ' 33' ' ' GLY . 2.1 tp -68.2 -33.99 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.03 111.614 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 60.0 pttt -70.55 -24.77 62.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.908 0.385 . . . . 0.69999999999999996 110.091 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -26.26 26.49 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.466 -0.654 . . . . 0.51000000000000001 111.466 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -41.52 88.03 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 122.566 0.347 . . . . 1.48 110.489 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -88.84 -11.16 45.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.049 0.452 . . . . 1.6100000000000001 110.544 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 31.1 tttp -70.83 -13.53 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.526 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 44' ' ' SER . . . -92.52 0.09 57.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.105 0.479 . . . . 0.40999999999999998 109.729 178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -141.59 32.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.709 -0.678 . . . . 1.3899999999999999 109.898 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -108.57 116.61 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.27 -0.423 . . . . 1.3500000000000001 111.182 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 59.16 56.1 4.05 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.85 0.719 . . . . 2.8300000000000001 110.986 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.39 72.06 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 5.0599999999999996 111.41 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.018 -0.992 . . . . 6.25 109.791 179.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 mtt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.75 -0.463 . . . . 10.039999999999999 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.26 72.66 2.71 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.647 -0.787 . . . . 6.3200000000000003 112.914 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.94 100.72 0.76 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.518 -0.849 . . . . 4.6799999999999997 112.433 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 pt -77.22 93.7 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.501 0.667 . . . . 4.3899999999999997 110.726 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -113.43 120.19 40.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.873 -0.603 . . . . 2.02 110.31 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -53.69 -36.11 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.408 0.442 . . . . 0.95999999999999996 111.945 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -60.82 2.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.92000000000000004 110.868 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 2.3 mp0 -70.11 -32.15 70.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 1.5 111.537 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.62 -34.69 76.09 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.069 -0.345 . . . . 1.02 110.069 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.52 -42.44 99.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.52000000000000002 110.02 179.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -56.09 -45.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.98999999999999999 110.454 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -69.41 -41.02 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.60999999999999999 110.12 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -57.19 -49.5 75.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.769 0.795 . . . . 0.48999999999999999 110.712 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.761 HG21 HG22 ' B' ' 12' ' ' ILE . 16.0 t -56.23 -34.0 38.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 113.944 -1.48 . . . . 0.34000000000000002 112.157 -178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 57.2 mt -85.0 -34.79 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.91 0.386 . . . . 0.41999999999999998 111.301 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.7 -30.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.783 0.661 . . . . 0.51000000000000001 112.783 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.978 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 4.4 t -62.4 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 113.319 0.859 . . . . 0.37 113.319 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' B' ' 19' ' ' LEU . 0.3 OUTLIER -73.95 -19.19 60.75 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.682 -0.407 . . . . 0.40000000000000002 111.351 -179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 23.1 mt -70.43 -28.68 65.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.345 -0.389 . . . . 0.46999999999999997 111.514 -178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -110.05 11.07 24.0 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.085 0.402 . . . . 1.1200000000000001 112.085 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 55.33 35.18 60.23 Favored Glycine 0 C--O 1.229 -0.21 0 CA-C-N 116.35 -0.386 . . . . 0.65000000000000002 113.383 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 17.2 p 61.26 -1.21 0.29 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.987 0.915 . . . . 1.46 113.404 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -65.62 -49.07 70.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.645 0.26 . . . . 1.3300000000000001 111.675 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' O ' HG12 ' A' ' 28' ' ' ILE . 7.5 mmmt -59.35 -54.99 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.39 -0.368 . . . . 1.3600000000000001 111.508 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 17' ' ' VAL . 1.8 mp -58.55 -35.27 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.66000000000000003 111.032 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.9 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -60.91 -56.74 22.45 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.02 -0.61 . . . . 0.68999999999999995 114.052 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -82.4 -51.24 8.04 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.299 0.852 . . . . 0.78000000000000003 113.299 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 24' ' ' LYS . 1.6 pt -67.24 -26.79 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.358 -0.537 . . . . 1.52 110.746 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.69 26.48 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.593 -0.813 . . . . 0.52000000000000002 111.623 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -59.78 -47.0 87.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.352 0.261 . . . . 0.94999999999999996 111.224 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -43.8 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.118 0.485 . . . . 1.29 110.628 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -28.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 1.28 110.599 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -63.06 -49.73 69.39 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.535 -0.757 . . . . 0.38 112.482 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -68.26 -15.31 63.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.151 0.5 . . . . 0.42999999999999999 110.744 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -87.64 -28.04 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.40999999999999998 109.71 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 33' ' ' GLY . 2.9 tp -67.57 -30.78 49.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.93999999999999995 111.301 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 60.5 pttt -74.73 -18.8 60.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.68000000000000005 110.285 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.22 -31.32 8.08 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.775 -0.726 . . . . 0.34000000000000002 111.355 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -39.97 95.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.871 0.367 . . . . 1.48 110.913 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -91.57 -15.25 28.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.331 -0.395 . . . . 1.48 111.116 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 33.6 tttp -66.28 -20.01 65.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 1.1499999999999999 111.04 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.94 -1.89 51.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.385 . . . . 0.75 111.925 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.5 mtm -112.41 55.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.749 0.785 . . . . 1.01 110.15 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.581 ' HB3' ' O ' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -88.4 75.56 8.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.88 -1.054 . . . . 1.2 111.051 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -147.79 64.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 1.6299999999999999 111.148 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 59.62 81.76 0.16 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.418 -0.81 . . . . 4.04 112.632 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.42 -0.8 . . . . 4.2999999999999998 109.838 179.129 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.774 0.321 . . . . 8.0099999999999998 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.56 93.07 1.23 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.81 -0.709 . . . . 6.0800000000000001 112.71 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.43 38.9 93.91 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 121.282 -0.485 . . . . 4.7999999999999998 112.537 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 5' ' ' SER . 53.2 mt -118.82 110.3 29.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 4.2000000000000002 110.96 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -128.16 167.85 16.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.562 . . . . 2.2200000000000002 109.901 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.4 -20.43 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.92000000000000004 109.704 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -61.94 1.97 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.781 -1.1 . . . . 1.1399999999999999 112.158 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -72.32 -31.14 65.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 1.5700000000000001 111.028 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.609 HD13 HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.21 -42.56 98.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 0.60999999999999999 110.736 -179.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -39.49 90.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.908 -0.587 . . . . 0.48999999999999999 111.115 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.452 ' O ' HG13 ' B' ' 15' ' ' ILE . 72.0 mt -56.69 -60.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.611 0.597 . . . . 1.04 112.611 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.898 HG22 HG21 ' A' ' 14' ' ' VAL . 4.2 mt -64.01 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.782 0.29 . . . . 0.32000000000000001 111.782 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.433 ' O ' ' HB ' ' B' ' 16' ' ' VAL . . . -63.06 -36.83 84.87 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.015 0.435 . . . . 0.34000000000000002 110.467 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.41 -42.07 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.191 -0.459 . . . . 0.35999999999999999 110.827 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 11' ' ' ILE . 66.2 mt -61.42 -27.9 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.209 0.528 . . . . 0.28000000000000003 110.19 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.705 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -64.37 -30.84 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.586 -0.734 . . . . 0.28000000000000003 111.558 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' HA ' HD11 ' B' ' 25' ' ' LEU . 23.5 t -59.32 -54.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 121.084 -0.246 . . . . 0.34999999999999998 111.42 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.69 -15.3 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.44 111.65 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -68.66 -37.07 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.466 -0.334 . . . . 0.34999999999999998 111.494 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.956 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 2.0 m-85 -120.34 17.29 12.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.995 0.426 . . . . 1.05 111.561 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.12 39.11 96.68 Favored Glycine 0 CA--C 1.517 0.158 0 CA-C-N 115.563 -0.744 . . . . 0.34000000000000002 113.582 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 1.3 m 61.83 7.6 2.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.007 0.743 . . . . 0.84999999999999998 113.007 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -67.34 -42.48 83.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.935 -0.478 . . . . 1.8899999999999999 111.572 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.434 ' O ' HG12 ' B' ' 28' ' ' ILE . 68.3 tttt -57.93 -54.62 44.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.453 0.644 . . . . 5.9800000000000004 110.867 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.59 ' H ' HD12 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -70.56 -18.15 62.92 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.426 -0.806 . . . . 0.85999999999999999 111.137 -178.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 -54.25 5.59 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.997 -0.621 . . . . 0.87 112.879 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -81.53 -63.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.051 0.389 . . . . 0.89000000000000001 112.051 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.878 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.3 OUTLIER -64.17 -33.07 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.081 0.467 . . . . 1.25 111.19 -178.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.19 73.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.859 -0.609 . . . . 0.5 113.228 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 74.6 m -72.79 -39.29 66.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.839 0.319 . . . . 0.93999999999999995 111.441 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.98 -52.38 24.76 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.176 0.512 . . . . 1.48 110.766 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HG ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.31 -24.76 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.274 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.53 76.86 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.087 -1.205 . . . . 0.41999999999999998 110.087 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -68.51 -37.63 80.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.603 0.716 . . . . 0.48999999999999999 109.396 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 39.4 m -69.91 -24.29 63.36 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.193 -0.912 . . . . 0.47999999999999998 110.766 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp -68.75 -33.31 58.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.201 -0.454 . . . . 1.03 111.09 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 34' ' ' ALA . 55.1 pttt -80.09 -12.61 59.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.312 0.577 . . . . 0.69999999999999996 109.901 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.49 -42.54 3.64 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.807 -0.711 . . . . 0.51000000000000001 111.931 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.426 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -66.69 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 1.48 111.206 -179.177 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -84.0 -10.88 57.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.455 -0.338 . . . . 1.6100000000000001 110.857 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -78.8 -8.08 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 1.04 110.4 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -86.86 -7.29 58.35 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.973 -0.751 . . . . 0.40999999999999998 108.973 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -134.49 43.34 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.066 -0.97 . . . . 1.3899999999999999 109.546 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.1 p -86.7 35.37 0.67 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 1.3500000000000001 111.555 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 72.21 -73.28 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.715 -0.675 . . . . 2.8300000000000001 110.677 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.71 128.3 1.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.131 -0.322 . . . . 5.0599999999999996 110.131 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.994 -1.003 . . . . 6.25 109.752 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.032 0.444 . . . . 10.039999999999999 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.9 154.93 25.65 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.958 -0.639 . . . . 6.3200000000000003 111.904 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.92 30.96 21.92 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.259 -0.736 . . . . 4.6799999999999997 111.259 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 pt -102.31 91.33 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.923 0.392 . . . . 4.3899999999999997 111.529 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.474 ' HB3' HD11 ' B' ' 4' ' ' ILE . 1.3 m -114.03 165.53 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.793 -0.447 . . . . 2.02 109.793 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 9' ' ' LEU . 32.8 mm -50.79 -36.39 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 112.113 0.412 . . . . 0.95999999999999996 112.113 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -59.94 4.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.92000000000000004 111.371 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -71.53 -31.99 67.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.5 110.775 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.3 -40.43 94.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 1.02 111.18 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.609 HD12 HD13 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -63.68 -40.97 98.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.502 -0.317 . . . . 0.52000000000000002 110.275 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.4 mt -55.35 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.98999999999999999 111.008 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.2 mt -66.45 -36.46 77.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.60999999999999999 110.454 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.58 -46.07 91.58 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.801 0.81 . . . . 0.48999999999999999 110.288 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.898 HG21 HG22 ' B' ' 12' ' ' ILE . 9.1 t -62.09 -38.59 81.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 113.914 -1.494 . . . . 0.34000000000000002 112.191 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 31.7 mt -76.06 -34.84 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 0.41999999999999998 111.597 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.93 -30.52 38.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.52 0.563 . . . . 0.51000000000000001 112.52 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.956 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.4 t -63.83 -47.06 92.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.968 0.729 . . . . 0.37 112.968 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -74.21 -26.7 60.41 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.672 -0.411 . . . . 0.40000000000000002 110.906 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 17.2 mt -59.8 -37.39 78.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.46999999999999997 111.783 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 16.2 m-85 -105.61 18.23 22.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.454 -0.339 . . . . 1.1200000000000001 111.774 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 58.45 36.12 82.8 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 116.055 -0.521 . . . . 0.65000000000000002 113.868 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.5 23.3 12.96 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.361 0.504 . . . . 1.46 112.361 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.43 -48.65 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.977 0.732 . . . . 1.3300000000000001 112.977 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 mmtt -49.67 -61.15 2.28 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.564 0.949 . . . . 1.3600000000000001 113.564 -177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -60.07 -24.5 64.63 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.826 0.306 . . . . 0.66000000000000003 111.826 -178.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.878 ' HA2' HG22 ' B' ' 28' ' ' ILE . . . -59.78 -45.93 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.088 -0.577 . . . . 0.68999999999999995 112.993 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -52.73 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.518 0.562 . . . . 0.78000000000000003 112.518 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.45 -28.7 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.789 0.328 . . . . 1.52 111.251 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.76 -46.72 52.23 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.821 -0.705 . . . . 0.52000000000000002 111.494 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -63.99 -42.11 97.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.94999999999999996 111.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.45 -43.29 99.13 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.38 0.61 . . . . 1.29 109.634 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -28.11 62.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.508 -0.769 . . . . 1.28 110.031 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -64.64 -51.72 49.35 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.639 -0.71 . . . . 0.38 112.048 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 37' ' ' LYS . . . -65.8 -20.57 66.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.032 0.444 . . . . 0.42999999999999999 111.076 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -85.8 -18.08 33.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.46 -0.57 . . . . 0.40999999999999998 109.46 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' GLY . 1.5 tp -73.28 -30.9 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.681 -0.69 . . . . 0.93999999999999995 110.498 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ALA . 63.4 pttt -82.65 -10.21 59.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.87 -0.604 . . . . 0.68000000000000005 110.555 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.59 -45.27 2.75 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.816 -0.707 . . . . 0.34000000000000002 112.855 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -30.19 70.28 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.854 0.316 . . . . 1.48 111.854 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -87.4 -20.99 25.88 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.946 -0.301 . . . . 1.48 111.199 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HA ' ' CB ' ' B' ' 42' ' ' ALA . 43.6 tttp -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.221 0.534 . . . . 1.1499999999999999 110.694 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.69 2.5 56.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.175 -0.466 . . . . 0.75 111.773 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtm -122.36 58.63 1.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 1.01 110.947 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 p -84.19 46.42 1.21 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.549 -0.75 . . . . 1.2 110.522 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.55 47.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 1.6299999999999999 111.725 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 52.23 37.15 21.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.052 -0.522 . . . . 4.04 111.455 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.622 -0.704 . . . . 4.2999999999999998 110.322 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.506 ' SD ' ' HB ' ' B' ' 4' ' ' ILE . 17.5 mmt . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.841 0.353 . . . . 8.0099999999999998 110.661 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.43 67.69 0.38 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.655 -0.783 . . . . 6.0800000000000001 111.919 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.83 30.46 10.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 4.7999999999999998 111.659 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.511 HG21 ' HB ' ' A' ' 6' ' ' ILE . 40.9 mm -106.75 101.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.916 0.389 . . . . 4.2000000000000002 110.747 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -77.26 131.97 38.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.009 -0.541 . . . . 2.2200000000000002 110.742 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.21 -25.14 35.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.28 0.562 . . . . 0.92000000000000004 109.739 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -57.98 6.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.059 -0.973 . . . . 1.1399999999999999 111.478 178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.14 -35.93 76.89 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.43 -0.35 . . . . 1.5700000000000001 111.187 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -57.13 -40.33 76.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.751 -0.659 . . . . 0.60999999999999999 110.587 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' B' ' 10' ' ' LEU . 0.2 OUTLIER -66.43 -43.23 86.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.48999999999999999 111.09 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 15' ' ' ILE . 1.3 mp -56.2 -53.35 40.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.207 0.447 . . . . 1.04 112.207 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.883 HG22 HG21 ' A' ' 14' ' ' VAL . 4.3 mt -65.47 -41.84 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.862 -0.335 . . . . 0.32000000000000001 111.214 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.32 83.46 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 120.899 0.381 . . . . 0.34000000000000002 110.445 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.408 HG23 HD22 ' B' ' 10' ' ' LEU . 4.1 t -67.01 -44.31 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.211 -0.449 . . . . 0.35999999999999999 110.584 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.433 ' HA ' HD21 ' B' ' 18' ' ' LEU . 92.4 mt -60.29 -31.95 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.223 0.535 . . . . 0.28000000000000003 109.795 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' B' ' 20' ' ' PHE . 0.9 OUTLIER -61.04 -35.35 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 0.28000000000000003 111.005 179.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.62 -44.98 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.492 -0.322 . . . . 0.34999999999999998 111.587 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -85.55 -22.47 28.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.685 -0.234 . . . . 0.44 111.344 -179.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.685 HD22 ' CE1' ' B' ' 20' ' ' PHE . 1.2 tt -58.89 -41.36 86.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.34999999999999998 111.073 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.994 ' CZ ' ' HB ' ' A' ' 17' ' ' VAL . 1.9 m-85 -114.81 19.03 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.863 0.363 . . . . 1.05 111.63 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 57.4 23.52 48.78 Favored Glycine 0 CA--C 1.52 0.36 0 CA-C-N 115.785 -0.643 . . . . 0.34000000000000002 113.824 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.664 ' HA ' HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER 59.33 23.65 12.13 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.001 0.429 . . . . 0.84999999999999998 111.634 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.38 -72.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.764 0.653 . . . . 1.8899999999999999 112.764 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -87.06 -7.69 57.84 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.81 -0.356 . . . . 5.9800000000000004 111.741 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' B' ' 22' ' ' THR . 3.7 mp -64.53 -34.77 79.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.391 -0.596 . . . . 0.85999999999999999 109.391 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.41 -15.78 81.23 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.342 -0.845 . . . . 0.87 111.871 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.64 -57.29 2.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.872 0.367 . . . . 0.89000000000000001 110.408 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 22.5 pt -63.6 -31.62 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.934 -0.575 . . . . 1.25 110.411 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.77 -34.2 59.63 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-N 116.057 -0.52 . . . . 0.5 112.671 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -77.46 -47.09 20.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.693 0.247 . . . . 0.93999999999999995 111.012 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.88 -50.02 73.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 1.48 110.353 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' B' ' 28' ' ' ILE . 0.4 OUTLIER -75.06 -19.63 59.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.513 . . . . 0.58999999999999997 110.353 178.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.04 -41.73 86.58 Favored Glycine 0 C--N 1.332 0.346 0 N-CA-C 110.782 -0.927 . . . . 0.41999999999999998 110.782 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.11 76.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.688 0.756 . . . . 0.48999999999999999 109.136 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 14.9 m -72.62 -26.47 61.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.47999999999999998 110.188 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -37.92 81.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.754 -0.657 . . . . 1.03 110.73 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 59.1 pttt -84.13 -14.3 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.43 . . . . 0.69999999999999996 110.178 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.21 -42.39 8.03 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.51000000000000001 112.158 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -77.26 -35.53 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.48 110.614 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -71.88 -17.18 62.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 1.6100000000000001 110.486 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' B' ' 37' ' ' LYS . 18.7 tptp -70.87 -18.19 62.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.953 -0.567 . . . . 1.04 110.757 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 41' ' ' LYS . . . -88.24 -12.33 44.03 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.227 0.537 . . . . 0.40999999999999998 109.957 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 15.4 mtp -113.71 27.12 9.8 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.8 -0.637 . . . . 1.3899999999999999 110.47 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.7 p -128.83 147.66 50.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.019 0.438 . . . . 1.3500000000000001 111.356 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -148.94 173.49 13.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.748 -0.66 . . . . 2.8300000000000001 109.349 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 62.53 46.65 5.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.611 0.72 . . . . 5.0599999999999996 110.236 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.92 -1.038 . . . . 6.25 109.558 179.61 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.92 0.391 . . . . 10.039999999999999 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.92 -31.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.814 -0.63 . . . . 6.3200000000000003 112.162 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.25 -94.2 1.61 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.709 -0.757 . . . . 4.6799999999999997 112.044 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.1 tt -152.95 124.11 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.026 0.441 . . . . 4.3899999999999997 110.575 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -148.09 179.64 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.068 -0.514 . . . . 2.02 110.661 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.511 ' HB ' HG21 ' B' ' 4' ' ' ILE . 37.1 mm -58.99 -31.31 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.806 0.336 . . . . 0.95999999999999996 111.331 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -59.6 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.172 0.511 . . . . 0.92000000000000004 110.878 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -65.66 -31.8 73.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 1.5 110.71 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.28 -39.96 94.68 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.93 -0.577 . . . . 1.02 110.394 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.501 HD13 ' HB ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -65.87 -42.09 90.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.52000000000000002 110.142 179.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.3 mp -57.03 -47.8 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.98999999999999999 110.488 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.34 -37.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.749 0.309 . . . . 0.60999999999999999 110.41 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.22 78.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.662 0.744 . . . . 0.48999999999999999 110.422 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 12' ' ' ILE . 24.6 t -58.72 -42.61 85.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 114.047 -1.433 . . . . 0.34000000000000002 112.161 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 ' HA ' HD21 ' A' ' 18' ' ' LEU . 58.3 mt -73.36 -35.42 46.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.832 0.348 . . . . 0.41999999999999998 111.413 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.99 -32.38 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.426 0.528 . . . . 0.51000000000000001 112.426 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.994 ' HB ' ' CZ ' ' B' ' 20' ' ' PHE . 2.2 t -64.65 -37.97 81.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.77 0.656 . . . . 0.37 112.77 -178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -82.84 -24.05 33.45 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.36 -0.536 . . . . 0.40000000000000002 110.599 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 10.1 mt -62.28 -39.52 93.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.46999999999999997 111.087 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -99.68 10.94 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 1.1200000000000001 111.3 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.26 46.19 51.81 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 116.09 -0.505 . . . . 0.65000000000000002 113.467 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 47.21 62.66 2.3 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.325 0.491 . . . . 1.46 112.325 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -128.23 -66.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.087 -0.506 . . . . 1.3300000000000001 110.529 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 28' ' ' ILE . 26.0 mmmt -52.15 -48.43 64.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.861 -0.609 . . . . 1.3600000000000001 112.23 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD11 ' HA ' ' A' ' 17' ' ' VAL . 3.9 mp -49.73 -47.41 50.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.752 -0.658 . . . . 0.66000000000000003 112.032 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.56 -36.43 47.68 Favored Glycine 0 N--CA 1.453 -0.174 0 CA-C-N 115.927 -0.579 . . . . 0.68999999999999995 114.314 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.37 -48.23 5.39 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.728 0.64 . . . . 0.78000000000000003 112.728 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' LYS . 34.2 pt -61.37 -27.58 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.802 0.334 . . . . 1.52 111.35 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.73 43.0 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.767 -0.73 . . . . 0.52000000000000002 111.87 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 -49.02 37.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.489 0.185 . . . . 0.94999999999999996 111.029 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.9 -47.9 83.9 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.955 0.407 . . . . 1.29 110.7 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.06 -25.45 60.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.1 0.476 . . . . 1.28 109.803 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' HA3' ' HG ' ' B' ' 32' ' ' LEU . . . -61.24 -53.79 41.68 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.517 -0.765 . . . . 0.38 112.422 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.21 -21.1 65.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.194 0.521 . . . . 0.42999999999999999 110.548 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.3 m -82.68 -22.92 34.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.291 -0.633 . . . . 0.40999999999999998 109.291 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 tp -67.59 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.486 -0.779 . . . . 0.93999999999999995 110.14 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 56.8 pttt -88.29 -6.3 57.84 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.68000000000000005 110.504 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.94 -47.94 3.5 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.633 -0.794 . . . . 0.34000000000000002 112.591 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.37 -32.75 64.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.048 -0.261 . . . . 1.48 111.31 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -82.68 -10.64 58.84 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 120.945 0.403 . . . . 1.48 110.813 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 37' ' ' LYS . 17.1 tptp -71.21 -20.25 62.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.146 0.498 . . . . 1.1499999999999999 109.953 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -103.94 2.33 32.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.499 -0.773 . . . . 0.75 111.833 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 mtm -104.83 29.21 6.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.088 0.471 . . . . 1.01 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -76.74 84.57 3.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.579 -0.737 . . . . 1.2 110.286 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -152.24 138.75 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.017 -0.273 . . . . 1.6299999999999999 111.299 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t0 65.64 8.69 5.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.325 -0.852 . . . . 4.04 112.082 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.13 -0.938 . . . . 4.2999999999999998 109.513 179.059 . . . . . . . . 0 0 . 1 stop_ save_